J. Lenhard, S. Stephan, H. Hasse: A Child of Prediction. On the History, Ontology, and Computation of the Lennard-Jonesium, Studies in History and Philosophy of Science 103 (2024) 105-113. [doi]

I. Antolović, J. Staubach, S. Stephan, J. Vrabec: Phase Equilibria of Symmetric Lennard-Jones Mixtures and a Look at the Transport Properties Near the Upper Critical Solution Temperature, PCCP 25 (2023) 17627-17638. [doi]

S. Basten, L. Seis, M. Oehler, B. Kirsch, H. Hasse, J. C. Aurich: Tribological Behaviour of AISI 4140 and WC-Co Carbides during Dry Condition, using Cryogenic Media, and Sub-zero Metalworking Fluids at High Contact Stresses, Wear 512-513 (2023) 204525. [doi]

V. Bråten, D. Schaefer, S. Stephan, H. Hasse: Molecular Dynamics Simulation Study on the Mass Transfer Across Vapor–Liquid Interfaces in Azeotropic Mixtures, The Journal of Chemical Physics 159 (2023) 084503. [doi]

C. F. Breitkreuz, J. Burger, H. Hasse: Solubility of Formaldehyde in Mixtures of Water + Methanol + Poly(oxymethylene) Dimethyl Ethers, Fluid Phase Equilib 565 (2023) 113658. [doi] [engrXiv]

C. F. Breitkreuz, A. Holzer, T. Fuchs, M. Günthner, H. Hasse: Miscibility in Systems Containing (Poly(oxymethylene) Ethers (OME) + Hydrocarbons + Water), Fuel 338 (2023) 127337. [doi] [engrXiv]

J. Damay, G. Ryzhakov, F. Jirasek, H. Hasse, I. Oseledets, M. Bortz: Predicting Temperature-dependent Activity Coefficients at Infinite Dilution Using Tensor Completion (https://doi.org/10.1002/cite.202200230), Chem Ing Tech (2023). [doi]

F. Hartung, B. J. Franks, T. Michels, D. Wagner, P. Liznerski, S. Reithermann, S. Fellenz, F. Jirasek, M. Rudolph, D. Neider, H. Leitte, C. Song, B. Kloepper, S. Mandt, M. Bortz, J. Burger, H. Hasse, M. Kloft: Deep Anomaly Detection on Tennessee Eastman Process Data (https://doi.org/10.1002/cite.202200238), Chem Ing Tech (2023). [doi]

F. Jirasek, H. Hasse: Combining Machine Learning with Physical Knowledge in Thermodynamic Modeling of Fluid Mixtures, Annual Review of Chemical and Biomolecular Engineering 14 (2023) 31-51. [doi]

F. Jirasek, N. Hayer, R. Abbas, B. Schmid, H. Hasse: Prediction of Parameters of Group Contribution Models of Mixtures by Matrix Completion, PCCP 25 (2023) 1054-1062. [doi] [engrXiv]

G. Kanagalingam, S. Schmitt, F. Fleckenstein, S. Stephan: Data Scheme and Data Format for Transferable Force Fields for Molecular Simulation, Scientific Data 10 (2023) 495. [doi]

R. Kircher, S. Mross, H. Hasse, K. Münnemann: Quantitative Analysis in Continuous-Flow 1H Benchtop NMR Spectroscopy by Paramagnetic Relaxation Enhancement, Appl Magn Reson 54 (2023) 1555-1569. [doi]

J. Kreusser, H. Hasse, F. Jirasek: Adsorption of Bovine Serum Albumin on a Mixed-mode Resin - Influence of Salts and the pH Value, Adsorption (2023). [doi]

B. Kunstmann, M. Kohns, H. Hasse: Thermophysical Properties of Mixtures of 2-Ethylhexanoic Acid and Ethanol, Journal of Chemical & Engineering Data 68 (2023) 330-338. [doi] [engrXiv]

B. Kunstmann, I. Wlokas, M. Kohns, H. Hasse: Simulation Study of Superheating in Evaporating Droplets of (TTIP + p-xylene) in Spray Flame Synthesis, Applications in Energy and Combustion Science 15 (2023) 100156. [doi] [engrXiv]

J. Kunz, X. Rutz, S. Stephan, H. Hasse, R. Müller: Simulation of Vibrating Droplets Using a Phase Field Approach, PAMM 23 (2023) e202300232. [doi]

J. Lenhard, H. Hasse: Traveling with TARDIS. Parameterization and Transferability in Molecular Modeling and Simulation, Synthese 201 (2023) 129. [doi]

J. Marx, M. Kohns, K. Langenbach: Vapor-liquid Equilibria of Binary Mixtures Containing Stockmayer-type Model Fluids from Monte-Carlo Simulations, Fluid Phase Equilib 568 (2023) 113742. [doi]

J. Phuong, S. Mross, D. Bellaire, H. Hasse, K. Münnemann: Determination of Self-Diffusion Coefficients in Mixtures with Benchtop 13C NMR Spectroscopy via Polarization Transfer, Magn Reson Chem 1 (2023) 1-12. [doi]

J. Phuong, Z. Romero, H. Hasse, K. Münnemann: Polarization Transfer Methods for Quantitative Analysis of Flowing Mixtures with Benchtop 13C NMR Spectroscopy, Magn Reson Chem (2023). [doi]

D. Schaefer, M. Kohns: Molecular Dynamics Study of Ion Clustering in Concentrated Electrolyte Solutions for the Estimation of Salt Solubilities, Fluid Phase Equilib 571 (2023) 113802. [doi] [engrXiv]

D. Schaefer, M. Kohns, H. Hasse: Molecular Modeling and Simulation of Aqueous Solutions of Alkali Nitrates, The Journal of Chemical Physics 158 (2023) 134508. [doi]

D. Schaefer, S. Stephan, K. Langenbach, M. T. Horsch, H. Hasse: Mass Transfer through Vapor–liquid Interfaces Studied by Non-stationary Molecular Dynamics Simulations, The Journal of Physical Chemistry B 127 (2023) 2521-2533. [doi] [engrXiv]

S. Schmitt, F. Fleckenstein, H. Hasse, S. Stephan: Comparison of Force Fields for the Prediction of Thermophysical Properties of Long Linear and Branched Alkanes, The Journal of Physical Chemistry B 127 (2023) 1789-1802. [doi] [engrXiv]

S. Schmitt, H. Hasse, S. Stephan: Entropy Scaling Framework for Transport Properties using Molecular-based Equations of State, J Mol Liq (2023) 123811. [doi] [engrXiv]

S. Schmitt, G. Kanagalingam, F. Fleckenstein, D. Froescher, H. Hasse, S. Stephan: Extension of the MolMod Database to Transferable Force Fields, Journal of Chemical Information and Modeling 63 (2023) 7148-7158. [doi] [engrXiv]

S. Schmitt, S. Stephan, B. Kirsch, J. C. Aurich, H. M. Urbassek, H. Hasse: Molecular Dynamics Simulation of Cutting Processes: The Influence of Cutting Fluids at the Atomistic Scale, Proceedings of the 3rd Conference on Physical Modeling for Virtual Manufacturing Systems and Processes, Cham, pp. 260-280, ISBN 978-3-031-35779-4 (2023).

M. Sekulla, M. Kohns, M. Richter: Adsorption of CO2 on Gold Surfaces: Adsorbate Density Assumption Investigated Using Molecular Dynamics Simulations, Industrial & Engineering Chemistry Research 62 (2023) 19884-19892. [doi]

J. T. Sohns, D. Gond, F. Jirasek, H. Hasse, G. H. Weber, H. Leitte: Embedding-Space Explanations of Learned Mixture Behavior, Proceedings of the 3rd Conference on Physical Modeling for Virtual Manufacturing Systems and Processes, Cham, pp. 32-50, ISBN 978-3-031-35779-4 (2023).

T. Specht, J. Arweiler, J. Stüber, K. Münnemann, H. Hasse, F. Jirasek: Automated Nuclear Magnetic Resonance Fingerprinting of Mixtures, Magn Reson Chem 1 (2023) 1-12. [doi]

T. Specht, H. Hasse, F. Jirasek: Predictive Thermodynamic Modeling of Poorly Specified Mixtures and Applications in Conceptual Fluid Separation Process Design, Industrial & Engineering Chemistry Research 62 (2023) 10657-10667. [doi] [engrXiv]

T. Specht, K. Münnemann, H. Hasse, F. Jirasek: Rational Method for Defining and Quantifying Pseudo-components Based on NMR Spectroscopy, PCCP 25 (2023) 10288-10300. [doi] [engrXiv]

J. Staubach, G. Schwarz, S. Möbius, H. Hasse, S. Stephan: Modeling Thermodynamic Properties of Mixtures of CO2 + O2 in the Allam Cycle by Equations of State, Int J Thermophys 44 (2023) 182. [doi] [engrXiv]

J. Staubach, S. Stephan: Prediction of Thermodynamic Properties of Fluids at Extreme Conditions: Assessment of the Consistency of Molecular-Based Models, Proceedings of the 3rd Conference on Physical Modeling for Virtual Manufacturing Systems and Processes, Cham, pp. 170-188, ISBN 978-3-031-35779-4 (2023).

S. Stephan, F. Fleckenstein, H. Hasse: Vapor–Liquid Interfacial Properties of the Systems (Toluene + CO2) and (Toluene + N2): Experiments, Molecular Simulation, and Density Gradient Theory, Journal of Chemical & Engineering Data (2023). [doi]

S. Stephan, S. Schmitt, H. Hasse, H. M. Urbassek: Molecular Dynamics Simulation of the Stribeck Curve: Boundary Lubrication, Mixed Lubrication, and Hydrodynamic Lubrication on the Atomistic Level, Friction 11 (2023) 2342-2366. [doi]

S. Stephan, M. Urschel: Characteristic Curves of the Mie Fluid, J Mol Liq 383 (2023) 122088. [doi] [engrXiv]

M. Urschel, S. Stephan: Determining Brown’s Characteristic Curves Using Molecular Simulation, Journal of Chemical Theory and Computation 19 (2023) 1537-1552. [doi] [engrXiv]

J. Werner, T. Seidel, R. Jafar, R. Heese, H. Hasse, M. Bortz: Multiplicities in Thermodynamic Activity Coefficients, AlChE J 69 (2023) e18251. [doi]

P. Wingertszahn, S. Schmitt, S. Thielen, M. Oehler, B. Magyar, O. Koch, H. Hasse, S. Stephan: Measurement, Modelling, and Application of Lubricant Properties at Extreme Pressures, Tribologie und Schmierungstechnik 70 (2023) 5-12. [doi]

J. Wolf, Y. Flieger, F. Diewald, K. Langenbach, S. Stephan, H. Hasse, R. Müller: Wetting of Rough Surfaces in a Phase Field Model, PAMM 22 (2023) e202200275. [doi]

E. Baumeister, J. Voggenreiter, M. Kohns, J. Burger: Measurement and Modeling of the Solubility of α-Lactose in Water-Ethanol Electrolyte Solutions at 298.15 K, Fluid Phase Equilib 556 (2022) 113378. [doi]

D. Bellaire, O. Großmann, K. Münnemann, H. Hasse: Diffusion Coefficients at Infinite Dilution of Carbon Dioxide and Methane in Water, Ethanol, Cyclohexane, Toluene, Methanol, and Acetone: A PFG-NMR and MD Simulation Study, The Journal of Chemical Thermodynamics 166 (2022) 106691. [doi] [engrXiv]

D. Bellaire, K. Münnemann, H. Hasse: Mutual Diffusion Coefficients From NMR Imaging, Chem Eng Sci 255 (2022) 117655. [doi]

D. Bellaire, S. Thielen, C. Burkhart, K. Münnemann, H. Hasse, B. Sauer: Investigation of Radial Shaft Seal Swelling using a Special Tribometer and Magnetic Resonance Imaging, ACS Omega (2022). [doi]

D. Bellaire, S. Thielen, C. Burkhart, K. Münnemann, H. Hasse, B. Sauer: Investigation of Radial Shaft Seal Swelling Using a Special Tribometer and Magnetic Resonance Imaging, ACS Omega 7 (2022) 11671-11677. [doi]

C. F. Breitkreuz, J. Burger, H. Hasse: Solid–Liquid Equilibria and Kinetics of the Solid Formation in Binary and Ternary Mixtures Containing (Formaldehyde + Water + Methanol), Industrial & Engineering Chemistry Research (2022). [doi]

C. F. Breitkreuz, M. Dyga, E. Forte, F. Jirasek, J. de Bont, J. Wery, T. Grützner, J. Burger, H. Hasse: Conceptual Design of a Crystallization-Based Trioxane Production Process, Chemical Engineering and Processing - Process Intensification 171 (2022) 108710. [doi]

C. F. Breitkreuz, N. Hevert, N. Schmitz, J. Burger, H. Hasse: Synthesis of Methylal and Poly(oxymethylene) Dimethyl Ethers from Dimethyl Ether and Trioxane, Industrial & Engineering Chemistry Research 61 (2022) 7810-7822. [doi]

M. Dyga, S. Eberweiser, A. Keller, H. Hasse: Liquid–liquid Equilibria in Mixtures of Formaldehyde, Water, Methanol, and Isoprenol, Fluid Phase Equilib 561 (2022) 113521. [doi]

M. Dyga, A. Keller, H. Hasse: 13C-NMR Spectroscopic Study of the Kinetics of Formaldehyde Oligomerization Reactions in the System (Formaldehyde + Water + Isoprenol), Industrial & Engineering Chemistry Research 61 (2022) 224-235. [doi]

M. Dyga, A. Keller, H. Hasse: Density of Solutions of Formaldehyde in Water and Alcohols, AIChE J. 68 (2022) e17573. [doi]

M. Dyga, A. Keller, H. Hasse: Distillation Behavior of the System (Formaldehyde + Water + Isoprenol), Chem Eng Sci 263 (2022) 118082. [doi]

D. Fertig, H. Hasse, S. Stephan: Transport Properties of Binary Lennard-Jones Mixtures: Insights from Entropy Scaling and Conformal Solution Theory, J Mol Liq (2022) 120401. [doi]

O. Großmann, D. Bellaire, N. Hayer, F. Jirasek, H. Hasse: Database for Liquid Phase Diffusion Coefficients at Infinite Dilution at 298 K and Matrix Completion Methods for their Prediction, Digital Discovery 1 (2022) 886-897. [doi]

N. Hayer, F. Jirasek, H. Hasse: Prediction of Henry's Law Constants by Matrix Completion (https://doi.org/10.1002/aic.17753), AlChE J 68 (2022) e17753. [doi]

F. Jirasek, R. Bamler, S. Fellenz, M. Bortz, M. Kloft, S. Mandt, H. Hasse: Making Thermodynamic Models of Mixtures Predictive by Machine Learning: Matrix Completion of Pair Interactions, Chemical Science 13 (2022) 4854-4862. [doi]&

A. Keller, J. Burger, H. Steinmetz, H. Hasse, M. Kohns: Thermodynamic Modeling of Phosphorus Recovery from Wastewater, Waste and Biomass Valorization 13 (2022) 3013-3023. [doi]

E. Kessler, L. Ninni, T. Breug-Nissen, B. Willy, R. Schneider, M. Irfan, J. Rolker, E. von Harbou, H. Hasse: Thermodynamic Properties of a System for CO2 Absorption with Liquid–Liquid Phase Split: EvA25 + H2O + CO2, Industrial & Engineering Chemistry Research 61 (2022) 15289-15300. [doi]

R. Kircher, S. Mross, H. Hasse, K. Münnemann: Functionalized Controlled Porous Glasses for Producing Radical-Free Hyperpolarized Liquids by Overhauser DNP, Molecules 27 (2022). [doi]

J. Kreusser, L. Ninni, F. Jirasek, H. Hasse: Adsorption of Conjugates of Lysozyme and Fluorescein Isothiocyanate in Hydrophobic Interaction Chromatography, J Biotechnol 360 (2022) 133-141. [doi]

A. Kulkarni, M. Kohns, M. Bortz, K.-H. Küfer, H. Hasse: Regularities of Pareto Sets in Low-dimensional Practical Multi-criteria Optimisation Problems: Analysis, Explanation, and Exploitation, Optimization and Engineering (2022). [doi]

J. Lenhard: A Transformation of Bayesian Statistics: Computation, Prediction, and Rationality, Studies in History and Philosophy of Science 92 (2022) 144-151. [doi]

J. Lenhard: Proof, Semiotics, and the Computer: On the Relevance and Limitation of Thought Experiment in Mathematics, Axiomathes (2022). [doi]

J. Lenhard, W. Krohn: The Law of Large Numbers. Edgar Zilsel’s Attempt at the Foundation of Physical and Socio-Historical Laws, in: D. Romizi, M. Wulz, E. Nemeth (eds.): Edgar Zilsel: Philosopher, Historian, Sociologist, pp. 121-142, Springer International Publishing, Cham, ISBN 978-3-030-93687-7 (2022).

J. Marx, M. Kohns, K. Langenbach: Systematic Study of Vapour–Liquid Equilibria in Binary Mixtures of Fluids with Different Polarity from Molecular Simulations, Mol Phys (2022) e2141150. [doi]

D. Meinhardt, H. Schröder, J. Hellwig, E. Steimers, A. Friebel, T. Beweries, M. Sawall, E. von Harbou, K. Neymeyr: Model-based Signal Tracking in the Quantitative Analysis of Time Series of NMR Spectra, J Magn Reson 339 (2022) 107212. [doi]

S. Müller, E. Ströfer, M. Kohns, K. Münnemann, E. von Harbou, H. Hasse: Investigation of Partial Oxidation of Methane in a Cold Plasma Reactor with Detailed Product Analysis, Plasma Chem Plasma Process 43 (2022) 513-532. [doi]

S. Schmitt, T. Vo, M. P. Lautenschlaeger, S. Stephan, H. Hasse: Molecular Dynamics Simulation Study of Heat Transfer across Solid–fluid Interfaces in a Simple Model System, Mol Phys 120 (2022) e2057364. [doi] [engrXiv]

J. Staubach, S. Stephan: Interfacial Properties of Binary Azeotropic Mixtures of Simple Fluids: Molecular Dynamics Simulation and Density Gradient Theory (electronic), The Journal of Chemical Physics 157 (2022) 124702. [doi]

E. Steimers, Y. Matviychuk, D. J. Holland, H. Hasse, E. von Harbou: Accurate Measurements of Self-diffusion Coefficients with Benchtop NMR using a QM Model-based Approach, Magn Reson Chem (2022). [doi]

S. Basten, B. Kirsch, H. Hasse, J. C. Aurich: Sub-zero metalworking fluids for high performance cutting of difficult to cut materials, Procedia CIRP 101 (2021) 342-345. [doi]

J. Damay, F. Jirasek, M. Kloft, M. Bortz, H. Hasse: Predicting Activity Coefficients at Infinite Dilution for Varying Temperatures by Matrix Completion, Industrial & Engineering Chemistry Research 60 (2021) 14564-14578. [doi] [engrXiv]

F. Diewald, M. Heier, M. Lautenschläger, C. Kuhn, K. Langenbach, H. Hasse, R. Müller: Phase Field Simulations of Wetting Based on Molecular Simulations, Proc. Appl. Math. Mech. 20 (2021) e202000035. [doi]

F. Diewald, J. Wolf, M. Heier, M. Lautenschläger, S. Stephan, C. Kuhn, K. Langenbach, H. Hasse, R. Müller: Phase Field Modeling of Dynamic Surface Wetting Informed by Molecular Simulations, Proc. Appl. Math. Mech. 21 (2021) e202100051. [doi]

M. Dyga, A. Keller, H. Hasse: Vapor–Liquid Equilibria and Chemical Equilibria in the System (Formaldehyde + Water + Isoprenol), Industrial & Engineering Chemistry Research 60 (2021) 4471-4483. [doi] [engrXiv]

J. Eills, E. Cavallari, R. Kircher, G. Di Matteo, C. Carrera, L. Dagys, M. H. Levitt, K. L. Ivanov, S. Aime, F. Reineri, K. Münnemann, D. Budker, G. Buntkowsky, S. Knecht: Singlet-Contrast Magnetic Resonance Imaging: Unlocking Hyperpolarization with Metabolism**, Angew Chem Int Ed 60 (2021) 6791-6798. [doi]

R. Fingerhut, G. Guevara-Carrion, I. Nitzke, D. Saric, J. Marx, K. Langenbach, S. Prokopev, D. Celný, M. Bernreuther, S. Stephan, M. Kohns, H. Hasse, J. Vrabec: ms2: A Molecular Simulation Tool for Thermodynamic Properties, Release 4.0, Comput Phys Commun 262 (2021) 107860. [doi]

M. Heier, F. Diewald, R. Müller, K. Langenbach, H. Hasse: Adsorption of Binary Mixtures of the Lennard-Jones Truncated and Shifted Fluid on Planar Walls, Journal of Chemical & Engineering Data 66 (2021) 3722-3734. [doi]

M. Heier, R. Merz, S. Becker, K. Langenbach, M. Kopnarski, H. Hasse: Experimental Study of the Influence of the Adsorbate Layer Composition on the Wetting of Different Substrates with Water, Adsorption Science & Technology 2021 (2021) 6663989. [doi]

M. Heier, S. Stephan, F. Diewald, R. Müller, K. Langenbach, H. Hasse: Molecular Dynamics Study of Wetting and Adsorption of Binary Mixtures of the Lennard-Jones Truncated and Shifted Fluid on a Planar Wall, Langmuir 37 (2021) 7405-7419. [doi]

F. Jirasek, H. Hasse: Perspective: Machine Learning of Thermophysical Properties, Fluid Phase Equilib 549 (2021) 113206. [doi] [engrXiv]

A. Keller, J. Burger, H. Hasse, M. Kohns: Application of the Pitzer model for Describing the Evaporation of Seawater, Desalination 503 (2021) 114866. [doi] [engrXiv]

A. Keller, I. Wlokas, M. Kohns, H. Hasse: Thermophysical Properties of Mixtures of Titanium(IV) Isopropoxide (TTIP) and 2-Propanol (iPOH), Journal of Chemical & Engineering Data 66 (2021) 1296-1304. [doi] [engrXiv]

A. Keller, I. Wlokas, M. Kohns, H. Hasse: Solid-liquid Equilibria in Mixtures of Iron(III) Nitrate Nonahydrate and Ethanol or 1-propanol, Fluid Phase Equilib 536 (2021) 112987. [doi] [engrXiv]

E. Kessler, L. Ninni, T. Breug-Nissen, B. Willy, R. Schneider, M. Irfan, J. Rolker, W. R. Thiel, E. von Harbou, H. Hasse: Speciation in CO2-loaded Aqueous Solutions of Sixteen Triacetoneamine-derivates (EvAs) and Elucidation of Structure-property Relationships, Chem Eng Sci 229 (2021) 115999. [doi] [engrXiv]

R. Kircher, H. Hasse, K. Münnemann: High Flow-Rate Benchtop NMR Spectroscopy Enabled by Continuous Overhauser DNP, Anal Chem 93 (2021) 8897-8905. [doi] [engrXiv]

M. Kohns, J. Marx, K. Langenbach: Critical Assessment of Perturbation Theories for the Relative Permittivity of Dipolar Model Fluids, Chem Eng Sci 245 (2021) 116875. [doi] [engrXiv]

J. Kreusser, F. Jirasek, H. Hasse: Influence of Salts on the Adsorption of Lysozyme on a Mixed-Mode Resin, Adsorption Science & Technology (2021) 6681348. [doi]

J. Kreusser, F. Jirasek, H. Hasse: Influence of pH Value and Salts on the Adsorption of Lysozyme in Mixed-Mode Chromatography, Eng Life Sci 21 (2021) 753-768. [doi] [engrXiv]

P. Narasu, A. Keller, M. Kohns, H. Hasse, E. Gutheil: Numerical Study of the Evaporation and Thermal Decomposition of a Single Iron(III) Nitrate Nonahydrate/Ethanol Droplet, International Journal of Thermal Sciences 170 (2021) 107133. [doi]

S. Schmitt, S. Stephan, B. Kirsch, J. C. Aurich, E. Kerscher, H. Urbassek, H. Hasse: Molecular Simulation Study on the Influence of the Scratching Velocity on Nanoscopic Contact Processes, International Conference on Physical Modeling for Virtual Manufacturing (2021) 17:1-17:16. [doi]

J. T. Sohns, M. Schmitt, F. Jirasek, H. Hasse, H. Leitte: Attribute-based Explanation of Non-Linear Embeddings of High-Dimensional Data, IEEE Transactions on Visualization and Computer Graphics (2021) 1-1. [doi] [ArXiv]

T. Specht, K. Münnemann, H. Hasse, F. Jirasek: Automated Methods for Identification and Quantification of Structural Groups from Nuclear Magnetic Resonance Spectra Using Support Vector Classification, Journal of Chemical Information and Modeling 61 (2021) 143-155. [doi] [engrXiv]

S. Stephan, M. Dyga, I. Alabd Alhafez, J. Lenhard, H. M. Urbassek, H. Hasse: Reproducibility of Atomistic Friction Computer Experiments: a Molecular Dynamics Simulation Study, Molecular Simulation (2021) 1-13. [doi] [engrXiv]

J. Wolf, F. Diewald, M. Heier, J. Staubach, K. Langenbach, H. Hasse, R. Müller: Adsorption in a Phase Field Model for Wetting, Proc. Appl. Math. Mech. 21 (2021) e202100145. [doi]

S. Antonyuk, H.-J. Bart, H. Hasse, M. Ripp, S. Ripperger, R. Ulber: The Development of Process Engineering at the TU Kaiserslautern, Chem Ing Tech 92 (2020). [doi]

S. Basten, B. Kirsch, R. Merz, M. Kopnarski, H. Hasse, J. C. Aurich: Adsorption and Reaction Layers when Turning AISI 304 using Various Cooling Strategies, Procedia CIRP 87 (2020) 125-130. [doi]

J. Burger, H. Hasse: Processes for the Production of OME Fuels, in: Internationaler Motorenkongress 2020, pp. 191-203, Springer, ISBN 978-3-658-30499-7 (2020). [doi] 

F. Diewald, M. P. Lautenschläger, S. Stephan, K. Langenbach, C. Kuhn, S. Seckler, H. J. Bungartz, H. Hasse, R. Müller: Molecular Dynamics and Phase Field Simulations of Droplets on Surfaces with Wettability Gradient, Computer Methods in Applied Mechanics and Engineering 361 (2020) 112773. [doi]

E. Forte, A. Kulkarni, J. Burger, M. Bortz, K.-H. Küfer, H. Hasse: Multi-criteria Optimization for Parametrizing Excess Gibbs Energy Models, Fluid Phase Equilib (2020) 112676. [doi] [engrXiv]

A. Friebel, T. Specht, E. von Harbou, K. Münnemann, H. Hasse: Prediction of Flow Effects in Quantitative NMR Measurements, J Magn Reson 312 (2020) 106683. [doi] [engrXiv]

A. Friebel, E. von Harbou, K. Münnemann, H. Hasse: Online Process Monitoring of a Batch Distillation by Medium Field NMR Spectroscopy, Chem Eng Sci 219 (2020) 115561. [doi]  [engrXiv]

N. Galeotti, E. Hackemann, F. Jirasek, H. Hasse: Prediction of the Elution Profiles of Proteins in Mixed Salt Systems in Hydrophobic Interaction Chromatography, Sep Purif Technol 233 (2020) 116006. [doi] [engrXiv]

A. J. Haslam, A. González-Pérez, S. Di Lecce, S. H. Khalit, F. A. Perdomo, S. Kournopoulos, M. Kohns, T. Lindeboom, M. Wehbe, S. Febra, G. Jackson, C. S. Adjiman, A. Galindo: Expanding the Applications of the SAFT-γ Mie Group-Contribution Equation of State: Prediction of Thermodynamic Properties and Phase Behavior of Mixtures, Journal of Chemical & Engineering Data 65 (2020) 5862-5890. [doi]

N. Hayer, M. Kohns: Thermodynamically Rigorous Description of the Open Circuit Voltage of Redox Flow Batteries, J Electrochem Soc 167 (2020) 110516. [doi] [engrXiv]

F. Jirasek, R. A. S. Alves, J. Damay, R. A. Vandermeulen, R. Bamler, M. Bortz, S. Mandt, M. Kloft, H. Hasse: Machine Learning in Thermodynamics: Prediction of Activity Coefficients by Matrix Completion, The Journal of Physical Chemistry Letters 11 (2020) 981-985. [doi] [ArXiv]

F. Jirasek, R. Bamler, S. Mandt: Hybridizing Physical and Data-driven Prediction Methods for Physicochemical Properties, Chem Commun 56 (2020) 12407-12410. [doi] [engrXiv]

F. Jirasek, J. Burger, H. Hasse: Application of NEAT for the Simulation of Liquid-liquid Extraction Processes with Poorly Specified Feeds, AlChE J 66 (2020) e16826. [doi] [engrXiv]

A. Keller, I. Wlokas, M. Kohns, H. Hasse: Thermophysical Properties of Mixtures of Titanium(IV) Isopropoxide (TTIP) and p-Xylene, J Chem Eng Data 65 (2020) 869-876. [doi] [engrXiv]

A. Keller, I. Wlokas, M. Kohns, H. Hasse: Thermophysical Properties of Solutions of Iron(III) Nitrate Nonahydrate in Mixtures of 1-Propanol and Water, Journal of Chemical & Engineering Data 65 (2020) 5413-5420. [doi] [engrXiv]

A. Keller, I. u. Wlokas, M. Kohns, H. Hasse: Thermophysical Properties of Solutions of Iron (III) Nitrate-Nonahydrate in Mixtures of Ethanol and Water, Journal of Chemical & Engineering Data 65 (2020) 3519-3527. [doi] [engrXiv]

E. Kessler, L. Ninni, D. Vasiliu, A. Yazdani, B. Willy, R. Schneider, M. Irfan, J. Rolker, E. von Harbou, H. Hasse: Triacetoneamine-derivates (EvAs) for CO2-absorption from Process Gases, International Journal of Greenhouse Gas Control 95 (2020) 102932. [doi] [engrXiv]

R. Kircher, N. Schmitz, J. Berje, K. Münnemann, W. R. Thiel, J. Burger, H. Hasse: Generalized Chemical Equilibrium Constant of Formaldehyde Oligomerization, Industrial & Engineering Chemistry Research 59 (2020) 11431-11440. [doi] [engrXiv]

M. Kohns: Molecular Simulation Study of Dielectric Constants of Pure Fluids and Mixtures, Fluid Phase Equilib 506 (2020) 112393. [doi] [engrXiv]

M. Kohns, G. Lazarou, S. Kournopoulos, E. Forte, F. A. Perdomo, G. Jackson, C. S. Adjiman, A. Galindo: Predictive Models for the Phase Behaviour and Solution Properties of Weak Electrolytes: Nitric, Sulfuric and Carbonic Acid, PCCP 22 (2020) 15248-15269. [doi] [engrXiv]

M. Kohns, J. Marx, K. Langenbach: Relative Permittivity of Stockmayer-Type Model Fluids from MD Simulations and COFFEE, Journal of Chemical & Engineering Data 65 (2020) 5891-5896. [doi] [engrXiv]

A. Kulkarni, M. Bortz, K.-H. Küfer, M. Kohns, H. Hasse: Multi-criteria Optimisation of Molecular Models of Water using a Reduced Units Approach, Journal of Chemical Theory and Computation (2020).[doi] [engrXiv]

A. Kulkarni, R. Fingerhut, M. Kohns, H. Hasse, J. Vrabec: Correction to “Molecular Modeling and Simulation of Vapor–Liquid Equilibria of Ethylene Oxide, Ethylene Glycol, and Water as Well as their Binary Mixtures”, Industrial & Engineering Chemistry Research 59 (2020) 20232-20234. [doi] [engrXiv]

A. Kulkarni, E. J. García, A. Damone, M. Schappals, S. Stephan, M. Kohns, H. Hasse: A Force Field for Poly(oxymethylene) Dimethyl Ethers (OMEn), Journal of Chemical Theory and Computation (2020). [doi] [engrXiv]

K. Langenbach, M. Kohns: Correction to “Relative Permittivity of Dipolar Model Fluids from Molecular Simulation and from the Co-Oriented Fluid Functional Equation for Electrostatic Interactions”, Journal of Chemical & Engineering Data 65 (2020) 5071-5072. [doi] [engrXiv]

K. Langenbach, M. Kohns: Relative Permittivity of Dipolar Model Fluids from Molecular Simulation and from the Co-Oriented Fluid Functional Equation for Electrostatic Interactions, J Chem Eng Data 65 (2020) 980-986. [doi] [engrXiv]

Y. Matviychuk, E. Steimers, E. v. Harbou, D. J. Holland: Improving the Accuracy of Model-based Quantitative NMR, Magnetic Resonance Discussions (2020) 1-24. [doi]

Y. Matviychuk, E. Steimers, E. von Harbou, D. J. Holland: Bayesian Approach for Automated Quantitative Analysis of Benchtop NMR Data, J Magn Reson 319 (2020) 106814. [doi]

P. Narasu, A. Keller, M. Kohns, H. Hasse, E. Gutheil: Numerical Study of Single Iron (III) Nitrate Nonahydrate/Ethanol Droplet Evaporation in Humid Air, Proceedings of the 5thWorld Congress on Momentum, Heat and Mass Transfer (MHMT'20) (2020). [doi]

J. Neuhaus, E. von Harbou, H. Hasse: Spectroscopic Investigations of Solutions of Lithium Bis(fluorosulfonyl) Imide (LiFSI) in Valeronitrile, Polyhedron 183 (2020) 114458. [doi] [engrXiv]

D. Saric, M. Kohns, J. Vrabec: Dielectric Constant and Density of Aqueous Alkali Halide Solutions by Molecular Dynamics: A Force Field Assessment, The Journal of Chemical Physics 152 (2020) 164502. [doi]

T. Seidel, A. Hoffmann, M. Bortz, A. Scherrer, J. Burger, N. Asprion, K.-H. Küfer, H. Hasse: A Novel Approach for Infeasible Path Optimization of Distillation-based Flowsheets, Chemical Engineering Science: X 7 (2020) 100063. [doi]

T. Specht, K. Münnemann, F. Jirasek, H. Hasse: Estimating Activity Coefficients of Target Components in Poorly Specified Mixtures with NMR Spectroscopy and COSMO-RS, Fluid Phase Equilib 516 (2020) 112604. [doi] [engrXiv]

E. Steimers, M. Sawall, R. Behrens, D. Meinhardt, J. Simoneau, K. Münnemann, K. Neymeyr, E. von Harbou: Application of a New Method for Simultaneous Phase and Baseline Correction of NMR Signals (SINC), Magn Reson Chem 58 (2020) 260-270. [doi] [engrXiv]

E. Steimers, Y. Matviychuk, A. Friebel, K. Münnemann, E. von Harbou, D. J. Holland: A Comparison of Non‑uniform Sampling and Model-based Analysis of NMR Spectra for Reaction Monitoring, Magn Reson Chem 59 (2020) 221-236. [doi] [engrXiv]

S. Stephan, S. Becker, K. Langenbach, H. Hasse: Vapor-liquid Interfacial Properties of the System Cyclohexane + CO2: Experiments, Molecular Simulation and Density Gradient Theory, Fluid Phase Equilib 518 (2020) 112583. [doi] [engrXiv]

S. Stephan, U. K. Deiters: Characteristic Curves of the Lennard-Jones Fluid, Int J Thermophys 41 (2020) 147. [doi] [engrXiv]

S. Stephan, H. Hasse: Molecular Interactions at Vapor-liquid Interfaces: Binary Mixtures of Simple Fluids, Physical Review E 101 (2020) 012802. [doi] [engrXiv]

S. Stephan, H. Hasse: Enrichment at Vapour–liquid Interfaces of Mixtures: Establishing a Link between Nanoscopic and Macroscopic Properties, Int Rev Phys Chem 39 (2020) 319-349. [doi] [engrXiv]

S. Stephan, H. Hasse: Interfacial Properties of Binary Mixtures of Simple Fluids and their Relation to the Phase Diagram, PCCP (2020). [doi] [engrXiv]

S. Stephan, D. Schaefer, K. Langenbach, H. Hasse: Mass Transfer through Vapour–liquid Interfaces: a Molecular Dynamics Simulation Study, Mol Phys (2020) e1810798. [doi] [engrXiv]

S. Stephan, J. Staubach, H. Hasse: Review and Comparison of Equations of State for the Lennard-Jones Fluid, Fluid Phase Equilib 523 (2020) 112772. [doi] [engrXiv]

D. Vasiliu, E. Kessler, E. von Harbou, H. Hasse: Short-cut Method for Assessing Solvents for Gas Cleaning by Reactive Absorption, Chem Eng Res Des 153 (2020) 757-767. [doi] [engrXiv]

P. Weingart, P. Hütchen, A. Damone, M. Kohns, H. Hasse, W. R. Thiel: Two Simple and Highly Efficient Variants of the Griffith‐Ley Oxidation of Alcohols, ChemCatChem (2020). [doi]

R. Behrens, M. Dyga, G. Sieder, E. von Harbou, H. Hasse: NMR Spectroscopic Method for Studying Homogenous Liquid Phase Reaction Kinetics in Systems used in Reactive Gas Absorption and Application to Monoethanolamine-water-carbon Dioxide, Chem Eng J 374 (2019) 1127-1137. [doi] [engrXiv]

R. Behrens, E. Kessler, K. Münnemann, H. Hasse, E. von Harbou: Monoalkylcarbonate Formation in the System Monoethanolamine-Water-Carbon Dioxide, Fluid Phase Equilib 486 (2019) 98-105. [doi] [engrXiv]

D. Bellaire, H. Kiepfer, K. Münnemann, H. Hasse: PFG-NMR and MD Simulation Study of Self-diffusion Coefficients of Binary and Ternary Mixtures Containing Cyclohexane, Ethanol, Acetone, and Toluene, J Chem Eng Data 65 (2019) 793-803. [doi] [engrXiv]

J. Berje, J. Baldamus, J. Burger, H. Hasse: Vapor-liquid Equilibrium of Mixtures Containing Formaldehyde, Water, and Butynediol, Fluid Phase Equilib 490 (2019) 101-106. [doi] [engrXiv]

F. Diewald, M. Heier, M. P. Lautenschläger, M. Horsch, C. Kuhn, K. Langenbach, H. Hasse, R. Müller: A Navier-Stokes-Korteweg Model for Dynamic Wetting based on the PeTS Equation of State, Proceedings in Applied Mathematics and Mechanics 19 (2019). [doi]

Q. V. Dinh, T. Q. Vo, B. Kim: Viscous Heating and Temperature Profiles of Liquid Water Flows in Copper Nanochannel, Journal of Mechanical Science and Technology 33 (2019) 3257-3263. [doi] [engrXiv]

E. Forte, F. Jirasek, M. Bortz, J. Burger, J. Vrabec, H. Hasse: Digitalization in Thermodynamics, Chem Ing Tech 91 (2019) 201-214. [doi] [engrXiv]

A. Friebel, E. von Harbou, K. Münnemann, H. Hasse: Reaction Monitoring by Benchtop NMR Spectroscopy Using a Novel Stationary Flow Reactor Setup, Ind Eng Chem Res 58 (2019) 18125-18133. [doi] [engrXiv]

A. Fröscher, K. Langenbach, E. von Harbou, H. Hasse: Associating Lattice Cluster Theory and Application to Modeling Oleic Acid + Formic Acid + Formoxystearic Acid, AlChE J 65 (2019) 783-791. [doi]

A. Fröscher, K. Langenbach, E. von Harbou, W. Thiel, H. Hasse: NMR Spectroscopic Study of Chemical Reactions in Mixtures Containing Oleic Acid, Formic Acid, and Formoxystearic Acid, Industrial & Engineering Chemistry Research 58 (2019) 5622-5630. [doi] [engrXiv]

N. Galeotti, J. Burger, H. Hasse: Measurement and Modeling of Phase Equilibria in Systems Containing Water, Xylose, Furfural, and Acetic Acid, Journal of Chemical & Engineering Data 64 (2019) 2634-2640. [doi] [engrXiv]

E. García, H. Hasse: Studying Equilibria of Polymers in Solution by Direct Molecular Dynamics Simulations: Poly(N-isopropylacrylamide) in Water as a Test Case, European Physical Journal-Special Topics 227 (2019) 1547-1558. [doi] [engrXiv]

M. R. Hasan, T. Q. Vo, B. Kim: Manipulating Thermal Resistance at the Solid-fluid Interface through Monolayer Deposition, RSC Advances (2019) 4948-4956. [doi]

M. Heier, F. Diewald, M. T. Horsch, K. Langenbach, R. Müller, H. Hasse: Molecular Dynamics Study of Adsorption of the Lennard-Jones Truncated and Shifted Fluid on Planar Walls, J Chem Eng Data 64 (2019) 386-394. [doi] [engrXiv]

F. Jirasek, J. Burger, H. Hasse: NEAT-NMR Spectroscopy for the Estimation of Activity Coefficients of Target Components in Poorly Specified Mixtures, Industrial & Engineering Chemistry Research 58 (2019) 9155-9165. [doi] [engrXiv]

F. Jirasek, J. Burger, H. Hasse: Application of NEAT for Determining the Composition Dependence of Activity Coefficients in Poorly Specified Mixtures, Chem Eng Sci 208 (2019) 115161. [doi] [engrXiv]

F. Jirasek, E. Steimers, J. Burger, H. Hasse: Solid-liquid Equilibrium in the System 2-keto-L-gulonic Acid + Sodium-2-keto-L-gulonate + Hydrochloric Acid + Sodium Chloride + Water, Fluid Phase Equilib 495 (2019) 21-27. [doi] [engrXiv]

M. Kaul, J. Burger, H. Hasse: A Simple Way for Implementing Extraction Columns of Infinite Height in Flowsheet Simulators, Chem Ing Tech 91 (2019) 314-322. [doi] [engrXiv]

E. Kessler, L. Ninni, T. Breug-Nissen, B. Willy, R. Schneider, M. Irfan, J. Rolker, E. von Harbou, H. Hasse: Physicochemical Properties of the System N,N-Dimethyl-dipropylene-diamino-triacetonediamine (EvA34), Water, and Carbon Dioxide for Reactive Absorption, Journal of Chemical & Engineering Data 64 (2019) 2368-2379. [doi] [engrXiv]

M. P. Lautenschläger, H. Hasse: Transport Properties of the Lennard-Jones Truncated and Shifted Fluid from Non-equilibrium Molecular Dynamics Simulations, Fluid Phase Equilib 482 (2019) 38-47. [doi] [engrXiv]

M. P. Lautenschläger, H. Hasse: Thermal, Caloric and Transport Properties of the Lennard–Jones Truncated and Shifted Fluid in the Adsorbed Layers at Dispersive Solid Walls, Mol Phys (2019) 1-10. [doi] [engrXiv]

M. P. Lautenschläger, H. Hasse: Shear-rate Dependence of Thermodynamic Properties of the Lennard-Jones Truncated and Shifted Fluid by Molecular Dynamics Simulations, Phys Fluids 31 (2019) 13. [doi] [engrXiv]

J. Liu, M. Heier, W. G. Chapman, K. Langenbach: Adsorption in Purely Dispersive Systems from Molecular Simulation, Density Gradient Theory, and Density Functional Theory, J Chem Eng Data (2019). [doi]

L. M. Mesquita, J. Anhäuser, D. Bellaire, S. Becker, A. Lützen, S. Kubik: Palladium(II)-Mediated Assembly of a M2L2 Macrocycle and M3L6 Cage from a Cyclopeptide-Derived Ligand, Org Lett 21 (2019) 6442-6446. [doi]

M. Nasim, T. Q. Vo, L. Mustafi, B. Kim, C. S. Lee, W.-S. Chu, D.-M. Chun: Deposition Mechanism of Graphene Flakes Directly from Graphite Particles in the Kinetic Spray Process Studied using Molecular Dynamics Simulation, Computational Materials Science 169 (2019) 109091. [doi]

J. Neuhaus, D. Bellaire, M. Kohns, E. von Harbou, H. Hasse: Self-Diffusion Coefficients in Solutions of Lithium Bis(fluorosulfonyl)imide with Dimethyl Carbonate and Ethylene Carbonate, Chem Ing Tech 91 (2019) 1633-1639. [doi]

J. Neuhaus, E. von Harbou, H. Hasse: Physico-Chemical Properties of LiFSI Solutions I. LiFSI with Valeronitrile, Dichloromethane, 1,2-Dichloroethane, and 1,2-Dichlorobenzene, J Chem Eng Data 64 (2019) 868-877. [doi]

J. Neuhaus, E. von Harbou, H. Hasse: Physicochemical Properties of LiFSI Solutions II: LiFSI with Water, MTBE, and Anisole, J Chem Eng Data 64 (2019) 878-883. [doi]

Y. Noh, T. Vo, B. Kim: Subatomic-level Solid/Fluid Boundary of Lennard-Jones Atoms: a Molecular Dynamics Study of Metal-inert Fluid Interface, Applied Sciences 9 (2019). [doi]

S. Stephan, M. Dyga, H. Urbassek, H. Hasse: The Influence of Lubrication and the Solid-fluid Interaction on Thermodynamic Properties in a Nanoscopic Scratching Process, Langmuir 35 (2019) 16948-16960. [doi] [engrXiv]

S. Stephan, H. Hasse: Influence of Dispersive Long-range Interactions on Properties of Vapour–liquid Equilibria and Interfaces of Binary Lennard-Jones Mixtures, Mol Phys (2019) 1-14. [doi] [engrXiv]

S. Stephan, M. T. Horsch, J. Vrabec, H. Hasse: MolMod - an Open Access Database of Force Fields for Molecular Simulations of Fluids, Molecular Simulation 45 (2019) 806-814. [doi] [engrXiv]

S. Stephan, K. Langenbach, H. Hasse: Interfacial Properties of Binary Lennard-Jones Mixtures by Molecular Simulation and Density Gradient Theory, The Journal of Chemical Physics 150 (2019) 174704. [doi] [engrXiv]

S. Stephan, M. Thol, J. Vrabec, H. Hasse: Thermophysical Properties of the Lennard-Jones Fluid: Database and Data Assessment, Journal of Chemical Information and Modeling 59 (2019) 4248-4265. [doi] [engrXiv]

N. Tchipev, S. Steffen, M. Heinen, J. Vrabec, F. Gratl, M. T. Horsch, M. Bernreuther, C. W. Glass, C. Niethammer, N. Hammer, B. Krischok, M. Resch, D. Kranzlmüller, H. Hasse, H. J. Bungartz, P. Neumann: TweTriS: Twenty Trillion-atom Simulation, The International Journal of High Performance Computing Applications 33 (2019) 838-854. [doi]

T. Vo, B. Reeder, A. Damone, P. Newell: Effect of Domain Size, Boundary, and Loading Conditions on Mechanical Properties of Amorphous Silica: a Reactive Molecular Dynamics Study, Nanomaterials 10 (2019) 54. [doi]

T. Q. Vo, B. Kim: A Molecular Dynamics Study on Cooling Rate Effect on Atomic Structure of Solidified Silver Nanoparticles, The European Physical Journal D 73 (2019) 183. [doi]  [engrXiv]

S. Werth, S. Stephan, M. T. Horsch, H. Hasse: Corrigendum to “Molecular Simulation of the Surface Tension of 33 Multi-site Models for Real Fluids” [J. Mol. Liq. 235 (2017) 126–134], J Mol Liq 286 (2019) 110877. [doi] [engrXiv]

A. Brächer, L. M. Kreußer, S. Qamar, A. Seidel-Morgenstern, E. von Harbou: Application of Quantitative Inline NMR Spectroscopy for Investigation of a Fixed-bed Chromatographic Reactor Process, Chemical Engineering Journal 336 (2018) 518-530. [doi]

M. Braun, S. Haseli, F. Rosch, M. Piel, K. Münnemann: NMR Hyperpolarization of Established PET Tracers, ChemistrySelect 3 (2018) 5176-5184. [doi]

C. F. Breitkreuz, N. Schmitz, E. Ströfer, J. Burger, H. Hasse: Design of a Production Process for Poly(oxymethylene) Dimethyl Ethers from Dimethyl Ether and Trioxane, Chem Ing Tech 90 (2018) 1489-1496. [doi] [engrXiv]

F. Diewald, M. Heier, M. Horsch, C. Kuhn, K. Langenbach, H. Hasse, R. Müller: Three-dimensional Phase Field Modeling of Inhomogeneous Gas-liquid Systems using the PeTS Equation of State, J. Chem. Phys. 149 (2018) 064701. [doi]

F. Diewald, C. Kuhn, M. Heier, K. Langenbach, M. Horsch, H. Hasse, R. Müller: Investigating the Stability of the Phase Field Solution of Equilibrium Droplet Configurations by Eigenvalues and Eigenvectors, Computational Materials Science 141 (2018) 185-192. [doi]

A. Fröscher, H. Hasse: Adsorption of Oleic Acid Dissolved in Isopropanol–Water Mixtures on Hydrotalcite, Adsorption Science and Technology 36 (2018) 919–926. [doi]

N. Galeotti, J. Burger, H. Hasse: Vapor-liquid Equilibrium in the Ternary Systems Acetic Acid + Water + (Xylose or Glucose), Fluid Phase Equilib 473 (2018) 323-329. [doi]

N. Galeotti, F. Jirasek, J. Burger, H. Hasse: Recovery of Furfural and Acetic Acid from Wood Hydrolysates in Biotechnological Downstream Processing, Chem. Eng. Technol. 41 (2018) 2331-2336. [doi] [engrXiv]

E. García, D. Bhandary, M. Horsch, H. Hasse: A Molecular Dynamics Simulation Scenario for Studying Solvent-mediated Interactions of Polymers and Application to Thermoresponse of Poly (N-isopropylacrylamide) in Water, J. Mol. Liq. 268 (2018) 294-302. [doi] [engrXiv]

M. Heier, S. Becker, H. M. Urbassek, M. T. Horsch, H. Hasse: Correction to “Contact Angle of Sessile Drops in Lennard-Jones Systems”, Langmuir 34 (2018) 3374-3374. [doi] [engrXiv]

M. Heier, S. Stephan, J. Liu, W. G. Chapman, H. Hasse, K. Langenbach: Equation of State for the Lennard-Jones Truncated and Shifted Fluid with a Cut-off Radius of 2.5 σ based on Perturbation Theory and its Applications to Interfacial Thermodynamics, Mol Phys 116 (2018) 2083-2094. [doi] [engrXiv]

F. Jirasek, J. Burger, H. Hasse: Method for Estimating Activity Coefficients of Target Components in Poorly Specified Mixtures, Ind. Eng. Chem. Res. 57 (2018) 7310-7313. [doi] [engrXiv]

F. Jirasek, J. Burger, H. Hasse: Solid-liquid Equilibrium in the System 2-Keto-L-gulonic Acid + Sodium-2-keto-L-gulonate + Water, Fluid Phase Equilib 473 (2018) 318-322. [doi] [engrXiv]

F. Jirasek, N. Galeotti, J. Burger, H. Hasse: Solid-liquid Equilibrium in the System 2-keto-L-gulonic Acid + L-ascorbic Acid + Water, Chem. Eng. Technol. 41 (2018) 2306-2311. [doi]

F. Jirasek, E. García, E. Hackemann, N. Galeotti, H. Hasse: Influence of the pH and Salts on the Partial Molar Volume of Lysozyme and Bovine Serum Albumin in Aqueous Solutions, Chem. Eng. Technol. 41 (2018) 2337-2345. [doi]

M. Kaul, J. Burger, H. Hasse: Hierarchical Design of Extraction-distillation Processes using Short-cut Apparatus Models with Piece-wise Linearized Thermodynamics, Chem. Eng. Sci. 192 (2018) 422-433. [doi] [engrXiv]

E. Kessler, N. S. Luciana, B. Willy, R. Schneider, M. Irfan, J. Rolker, E. Von Harbou, H. Hasse: Structure-Property Relationships for New Amines for Reactive CO2 Absorption, Chemical Engineering Transactions 69 (2018) 109-114. [doi]

B. Kirsch, S. Basten, H. Hasse, J. C. Aurich: Sub-zero Cooling: A Novel Strategy for High Performance Cutting, CIRP Annals - Manufacturing Technology 67 (2018) 95-98. [doi]

M. Kohns, M. Horsch, H. Hasse: Partial Molar Volume of NaCl and CsCl in Mixtures of Water and Methanol by Experiment and Molecular Simulation, Fluid Phase Equilib. 458 (2018) 30-39. [doi] [engrXiv]

K. Langenbach, M. Heilig, M. Horsch, H. Hasse: Study of Homogeneous Bubble Nucleation in Liquid Carbon Dioxide by a Hybrid Approach Combining Molecular Dynamics Simulation and Density Gradient Theory, J. Chem. Phys. (2018). [doi] [engrXiv]

M. P. Lautenschläger, H. Hasse: Thermal and Caloric Properties of Fluids from Non-equilibrium Molecular Dynamics Simulations using the Two-gradient Method, The Journal of Chemical Physics 149 (2018) 244106. [doi] [engrXiv]

M. P. Lautenschläger, S. Stephan, M. Horsch, B. Kirsch, J. C. Aurich, H. Hasse: Effects of Lubrication on Friction and Heat Transfer in Machining Processes on the Nanoscale: A Molecular Dynamics Approach, Procedia CIRP 67 (2018) 296-301. [doi]

M. P. Lautenschläger, M. Horsch, H. Hasse: Simultaneous Determination of Thermal Conductivity and Shear Viscosity using Two-gradient Non-equilibrium Molecular Dynamics Simulations, Mol. Phys. (2018) 1-11. [doi] [engrXiv]

J. Neuhaus, E. Forte, E. von Harbou, H. Hasse: Electrical Conductivity of Solutions of Lithium Bis(fluorosulfonyl)imide in Mixed Organic Solvents and Multi-objective Solvent Optimization for Lithium-ion Batteries, Journal of Power Sources 398 (2018) 215-223. [doi] [engrXiv]

J. Neuhaus, E. von Harbou, H. Hasse: Physico-chemical Properties of Solutions of Lithium Bis(fluorosulfonyl)imide (LiFSI) in Dimethyl Carbonate, Ethylene Carbonate, and Propylene Carbonate, J Power Sources 394 (2018) 148-159. [doi] [engrXiv]

M. Sawall, E. Von Harbou, A. Moog, R. Behrens, H. Schröder, J. Simoneau, E. Steimers, K. Neymeyr: Multi-objective Optimization for an Automated and Simultaneous Phase and Baseline Correction of NMR Spectral Data, J. Magn. Reson. 289 (2018) 132-141. [doi]

N. Schmitz, C. F. Breitkreuz, E. Ströfer, J. Burger, H. Hasse: Separation of Water from Mixtures Containing Formaldehyde, Water, Methanol, Methylal, and Poly(oxymethylene) Dimethyl Ethers by Pervaporation, Journal of Membrane Science 564 (2018) 806-812. [doi] [engrXiv]

N. Schmitz, C. F. Breitkreuz, E. Ströfer, J. Burger, H. Hasse: Vapor–liquid Equilibrium and Distillation of Mixtures Containing Formaldehdye and Poly(oxymethylene) Dimethyl Ethers, Chemical Engineering and Processing: Process Intensification 131 (2018) 116-124. [doi] [engrXiv]

S. Stephan, K. Langenbach, H. Hasse: Enrichment of Components at Vapour-Liquid Interfaces: A Study by Molecular Simulation and Density Gradient Theory, Chemical Engineering Transactions 69 (2018) 295-300. [doi]

S. Stephan, M. P. Lautenschlaeger, I. A. Alhafez, M. T. Horsch, H. M. Urbassek, H. Hasse: Molecular Dynamics Simulation Study of Mechanical Effects of Lubrication on a Nanoscale Contact Process, Tribology Letters 66 (2018) 126. [doi] [engrXiv]

S. Stephan, J. Liu, K. Langenbach, W. G. Chapman, H. Hasse: Vapor−Liquid Interface of the Lennard-Jones Truncated and Shifted Fluid: Comparison of Molecular Simulation, Density Gradient Theory, and Density Functional Theory, The Journal of Physical Chemistry C 122 (2018) 24705-24715. [doi] [engrXiv]

S. Thielen, B. Magyar, B. Sauer, F. Schneider, P. Mayer, B. Kirsch, R. Müller, E. Von Harbou, J. C. Aurich: Functional Investigation of Zero Lead Radial Shaft Seal Counter-surfaces Turned with a Special Method, Tribology International 118 (2018) 442-450. [doi]

J. Vrabec, M. Bernreuther, H.-J. Bungartz, W.-L. Chen, W. Cordes, R. Fingerhut, C. W. Glass, J. Gmehling, R. Hamburger, M. Heilig, M. Heinen, M. T. Horsch, C.-M. Hsieh, M. Hülsmann, P. Jäger, P. Klein, S. Knauer, T. Köddermann, A. Köster, K. Langenbach, S.-T. Lin, P. Neumann, J. Rarey, D. Reith, G. Rutkai, M. Schappals, M. Schenk, A. Schedemann, M. Schönherr, S. Seckler, S. Stephan, K. Stöbener, N. Tchipev, A. Wafai, S. Werth, H. Hasse: SkaSim – Scalable HPC Software for Molecular Simulation in the Chemical Industry, Chem. Ing. Tech. 90 (2018) 295-306.

N. Asprion, S. Blagov, R. Böttcher, J. Schwientek, J. Burger, E. von Harbou, M. Bortz: Simulation and Multi-criteria Optimization under Uncertain Model Parameters of a Cumene Process. Chem. Ing. Techn. 2017, 89 (4).[doi]

B. Basten, B. Kirsch, H. Hasse, J. C. Aurich: Neue kryogene Kühlstrategie für die spanende Bearbeitung auf der Basis mehrwertiger Alkohole, Maschinenmarkt 13 (2017) 24-28.

S. Becker, M. Kohns, H. Urbassek, M. Horsch, H. Hasse: Static and Dynamic Wetting Behavior of Drops on Impregnated Structured Walls by Molecular Dynamics Simulation, The Journal of Physical Chemistry C 121 (2017) 12669-12683. [doi]

R. Behrens, E. von Harbou, W. Thiel, W. Böttinger, T. Ingram, G. Sieder, H. Hasse: Monoalkylcarbonate Formation in Methyldiethanolamine–H2O–CO2, Ind. Eng. Chem. Res. 56 (2017) 9006-9015. [doi]

J. Berje, J. Baldamus, J. Burger, H. Hasse: NMR Spectroscopic Study of Chemical Equilibria in Solutions of Formaldehyde, Water, and Butynediol, AIChE J. 63 (2017) 4442-4450. [doi]

M. Bortz, J. Burger, E. von Harbou, M. Klein, J. Schwientek, N. Asprion, R. Böttcher, K. H. Küfer, H. Hasse: Efficient Approach for Calculating Pareto Boundaries under Uncertainties in Chemical Process Design, Ind. Eng. Chem. Res. 56 (2017) 12672-12681. [doi]

J. Burger, N. Asprion, S. Blagov, M. Bortz: A Simple Perturbation Scheme to Consider Uncertainty in Equations of State for the Use in Process Simulation. J Chem Eng Data 2017, 62 (1), 268-274.[doi]

F. Diewald, C. Kuhn, M. Heier, M. Horsch, K. Langenbach, H. Hasse, R. Müller: Surface Wetting with Droplets: A Phase Field Approach, PAMM 17 (2017) 501-502. [doi]

E. Forte, J. Burger, K. Langenbach, H. Hasse, M. Bortz: Multi-criteria Optimization for Parameterization of SAFT-type Equations of State for Water, AlChE J 64 (2017) 226-237. [doi] [engrXiv]

E. Forte, E. Von Harbou, J. Burger, M. Bortz, N. Asprion: Optimal Design of Laboratory and Pilot-plant Experiments using Multiobjective Optimization, Chem. Ing. Tech. 89 (2017) 645-654. [doi] [engrXiv]

A. Friebel, A. Fröscher, K. Münnemann, E. Von Harbou, H. Hasse: In Situ Measurement of Liquid-liquid Equilibria by Medium Field Nuclear Magnetic Resonance. Fluid Phase Equilibr 2017, 438, 44-52.[doi]

N. Galeotti, E. Ströfer, J. Burger: A New Design of the Aliphatic and Aromatic Polyisocyanates Value Chains based on Bio-functionalised Hydrocarbons, Récents Progrès en Génie des Procédés 110 (2017) 5.22.1-5.22.7. 

E. Hackemann, H. Hasse: Influence of Mixed Electrolytes and pH on Adsorption of Bovine Serum Albumin in Hydrophobic Interaction Chromatography, J. Chromatogr. A 1521 (2017) 73-79. [doi]

E. Hackemann, A. Werner, H. Hasse: Influence of Mixed Electrolytes on the Adsorption of Lysozyme, PEG, and PEGylated Lysozyme on a Hydrophobic Interaction Chromatography Resin, Biotechnol. Prog. 33 (2017) 1104-1115. [doi]

H. Hasse, J. Lenhard: Boon and Bane: On the Role of Adjustable Parameters in Simulation Models, in: M. Carrier, J. Lenhard (eds.): Mathematics as a Tool, Tracing New Roles of Mathematics in the Sciences, Boston Studies in the Philosophy and History of Science, Springer, Cham, Switzerland (2017).

A. Hoffmann, M. Bortz, R. Welke, J. Burger, K. H. Küfer, H. Hasse: Stage-to-stage Calculations of Distillation Columns by Fixed-point Iteration and Application of the Banach Fixed-point Theorem. Chem Eng Sci 2017, 164, 188-201.[doi]

A. Keller, K. Langenbach, H. Hasse: Comparison of Predictions of the PC-SAFT Equation of State and Molecular Simulations for the Metastable Region of Binary Mixtures, Fluid Phase Equilib. 444 (2017) 31-36. [doi]

M. Kohns, M. Horsch, H. Hasse: Activity Coefficients from Molecular Simulations Using the OPAS Method, J. Chem. Phys. 147 (2017). [doi]

M. Kohns, S. Werth, M. Horsch, E. Von Harbou, H. Hasse: Molecular Simulation Study of the CO2-N2O Analogy. Fluid Phase Equilib 2017, 442, 44-52.[doi]

M. Lautenschläger, S. Stephan, H. Urbassek, B. Kirsch, J. C. Aurich, M. Horsch, H. Hasse: Effects of Lubrication on the Friction in Nanometric Machining Processes: A Molecular Dynamics Approach, Applied Mechanics and Materials 869 (2017) 85-93. [doi]

J. Lenhard, H. Hasse: Fluch und Segen: die Rolle anpassbarer Parameter in Simulationsmodellen, in: A. Freidrich, P. Gehring, C. Hubig, A. Kaminsiki, A. Nordmann (ed.) Jahrbuch Technikphilosophie, 3. Jahrgang 2017: Technisches Nichtwissen, pp. 69 - 84, Nomos Verlagsgesellschaft, Baden-Baden, ISBN 978-3-8487-3432-0 (2017).[doi]

Y. Matviychuk, E. von Harbou, D. J. Holland: An Experimental Validation of a Bayesian Model for Quantification in NMR Spectroscopy, J. Magn. Reson. 285 (2017) 86-100. 

J. D. McGraw, M. Klos, A. Bridet, H. Hähl, M. Paulus, J. M. Castillo, M. Horsch, K. Jacobs: Influence of Bidisperse Self-assembled Monolayer Structure on the Slip Boundary Condition of Thin Polymer Films. J Chem Phys 2017, 146, 203326/1-203326/10.[doi]

G. Rutkai, A. Köster, G. Guevara-Carrion, T. Janzen, M. Schappals, C. W. Glass, M. Bernreuther, A. Wafai, S. Stephan, M. Kohns, S. Reiser, S. Deublein, M. Horsch, H. Hasse, J. Vrabec: ms2: A Molecular Simulation Tool for Thermodynamic Properties, Release 3.0, Comput. Phys. Commun. 221 (2017) 343-351.

M. Schappals, T. Breug-Nissen, K. Langenbach, J. Burger, H. Hasse: Solubility of Carbon Dioxide in Poly(oxymethylene) Dimethyl Ethers (OME), Journal of Chemical & Engineering Data (2017). [doi]

M. Schappals, A. Mecklenfeld, L. Kröger, V. Botan, A. Köster, S. Stephan, E. Garcia, G. Rutkai, G. Raabe, P. Klein, K. Leonhard, C. W. Glass, J. Lenhard, J. Vrabec, H. Hasse: Round Robin Study: Molecular Simulation of Thermodynamic Properties from Models with Internal Degrees of Freedom, Journal of Chemical Theory & Computation 13 (2017) 4270-4280. [doi]

N. Schmitz, E. Ströfer, J. Burger, H. Hasse: Conceptual Design of a Novel Process for the Production of Poly(oxymethylene) Dimethyl Ethers from Formaldehyde and Methanol, Ind. Eng. Chem. Res. 56 (2017) 11519-11530. [doi]

N. Schmitz, E. Ströfer, J. Burger, H. Hasse: Development of a Novel Process for the Large-scale Production of OME Fuels from Formaldehyde and Methanol, DGMK Tagunsgbericht 2 (2017) 53-59. ISBN: 978-3-941721-74-6

E. Von Harbou, R. Behrens, J. Berje, A. Brächer, H. Hasse: Studying Fast Reaction Kinetics with Online NMR Spectroscopy. Chemie Ingenieur Technik 2017, 89 (4), 369-378.[doi]

E. von Harbou, O. Ryll, M. Schrabback, M. Bortz, H. Hasse: Reactive Distillation in a Dividing-Wall Column: Model Development, Simulation, and Error Analysis, Chem. Ing. Tech. 89 (2017) 1315-1324. [doi]

E. von Harbou, O. Wachsen, E. Klemm, C. Dreiser: Technische Chemie 2016. Nachr Chem 2017, 65, 367-374.[doi]

J.-O. Weidert, J. Burger, M. Renner, S. Blagov, H. Hasse: Development of an Integrated Reaction-distillation Process for the Production of Methylal. Ind Eng Chem Res 2017, 56 (2), 557-582.[doi]

S. Werth, M. Horsch, H. Hasse: Molecular Simulation of the Surface Tension of 33 Multi-site Models for Real Fluids, J. Mol. Liq. 235 (2017) 126-134. [doi]

S. Werth, K. Stöbener, M. Horsch, H. Hasse: Simultaneous Description of Bulk and Interfacial Properties of Fuids by the Mie Potential, Mol. Phys. 115 (2017) 1017-1030. [doi]

J. C. Aurich, F. Schneider, P. Mayer, B. Kirsch, H. Hasse: Oberflächenerzeugungs-Morphologie-Eigenschafts-Beziehungen: Vom Fertigungsverfahren direkt zu den Bauteileigenschaften, Zeitschrift für wirtschaftlichen Fabrikbetrieb 11 (2016) 213-216. [pdf]

B. Basten, P. Mayer, B. Kirsch, H. Hasse, J. C. Aurich: Kryogener Kühlschmierstoff auf der Basis von Ethylenglykol, Zeitschrift für wirtschaftlichen Fabrikbetrieb 111 (2016) 445-449.  [pdf]

S. Becker, P. Mayer, B. Kirsch, J. C. Aurich, E. v. Harbou, R. Müller: Transient Finite Element Simulation of the Temperature Field during Cryogenic Turning of Metastable Austenitic Steel AISI 347[doi] 

S. Becker, R. Merz, H. Hasse, M. Kopnarski: Solvent Cleaning and Wettability of Technical Steel and Titanium Surfaces, Adsorption Science and Technology 34 (2016) 261-274. [doi]

S. Becker, S. Werth, M. Horsch, K. Langenbach, H. Hasse: Interfacial Tension and Adsorption in the Binary System Ethanol and Carbon Dioxide: Experiments, Molecular Simulation and Density Gradient Theory, Fluid Phase Equilib. 427 (2016) 476-487. [doi]

A. Brächer, R. Behrens, E. von Harbou, H. Hasse: Application of a New Micro-reactor 1H NMR Probe Head for Quantitative Analysis of Fast Esterification Reactions, Chemical Engineering Journal 306 (2016) 413-421. [doi]

J. Burger, M. Kaul, H. Hasse: Slope Curve Method for the Analysis of Separations in Extraction Columns of Infinite Height, Chem. Eng. Sci. 143 (2016) 105-113.[doi]

J. Burger, E. Ströfer, H. Hasse: Process Design in World 3.0 – Challenges and Strategies to Master the Raw Material Change, Chem. Eng. Technol. 39 (2015) 219-224.[doi]

F. Diewald, C. Kuhn, R. Blauwhoff, M. Heier, S. Becker, S. Werth, M. Horsch, H. Hasse, R. Müller: Simulation of Surface Wetting by Droplets Using a Phase Field Model, Proceedings in Applied Mathematics and Mechanics 16 16 (2016) 519-520.[doi]

H. Hasse: Eine kurze Betrachtung der Thermodynamik - Energie und Entropie beim Zusammenführen von Wissensgebieten, in: Jahrbuch 2015, Akademie der Wissenschaften und der Literatur, Mainz, pp. 105-121, Franz Steiner Verlag, Stuttgart, ISBN 978-3-515-11440-0 (2016).

A. Hoffmann, M. Bortz, J. Burger, H. Hasse, K. Küfer: A New Scheme for Process Simulation by Optimization: Distillation as an Example, Proceedings of the 26th European Symposium on Computer-Aided Process Engineering - ESCAPE 26 (2016) 205-210. [doi]

M. Horsch, S. Becker, K. Stöbener, S. Werth, S. Eckelsbach, W. Eckhardt, A. Heinecke, N. Tchipev, H. J. Bungartz, J. Vrabec, H. Hasse High Accuracy Molecular Dynamics Simulation of Fluids at Interfaces, High Performance Computing in Science and Engineering 2016 (2016) 122-123.

S. E. Iannuzzi, C. Barro, K. Boulouchos, J. Burger: Combustion Behavior and Soot Formation/oxidation of Oxygenated Fuels in a Cylindrical Constant Volume Chamber, Fuel 167 (2015) 49-59.[doi]

M. Kohns, S. Reiser, M. Horsch, H. Hasse: Solvent Activity in Electrolyte Solutions from Molecular Simulation of the Osmotic Pressure, J. Chem. Phys. 144 (2016) 084112/1-084112/10.[doi]

M. Kohns, M. Schappals, M. Horsch, H. Hasse: Activities in Aqueous Solutions of the Alkali Halide Salts from Molecular Simulation, Journal of Chemical & Engineering Data 61 (2016) 4068-4076.[doi]

S. Reiser, M. Horsch, H. Hasse: Density of Ethanolic Alkali Halide Salt Solutions by Experiment and Molecular Simulation, Fluid Phase Equilib. 408 (2016) 141-150. [doi]

A. Scheithauer, T. Grützner, D. Zollinger, E. von Harbou, H. Hasse: Modeling, Simulation and Analysis of a Process for the Production of Crotonaldehyde, Chemical Engineering and Processing: Process Intensification 101 (2016) 101-111.[doi]

N. Schmitz, J. Burger, E. Strofer, H. Hasse: From Methanol to the Oxygenated Diesel Fuel Poly(oxymethylene) Dimethyl Ether: An Assessment of the Production Costs. Fuel 2016, 185, 67-72. [doi]

N. Schmitz, A. Friebel, E. Von Harbou, J. Burger, H. Hasse: Liquid-liquid Equilibrium in Binary and Ternary Mixtures Containing Formaldehyde, Water, Methanol, Methylal, and Poly(oxymethylene) Dimethyl Ethers, Fluid Phase Equilib. 425 (2016) 127-135. [doi]

O. Steinhof, G. Scherr, H. Hasse: Investigation of the Reaction of 1,3-Dimethylurea with Formaldehyde by Quantitative On-Line NMR Spectroscopy: A Model for the Urea–Formaldehyde System, Magnetic Resonance in Chemistry 54 (2016) 457-476. [doi]

K. Stöbener, P. Klein, M. Horsch, K. Küfer, H. Hasse: Parametrization of Two-center Lennard-Jones plus Point-quadrupole Force Field Models by Multicriteria Optimization, Fluid Phase Equilib. 411 (2016) 33-42.[doi]

D. Vasiliu, A. Yazdani, N. McCann, M. Irfan, R. Schneider, J. Rolken, G. Maurer, E. von Harbou, H. Hasse: [doi]

C. Walowski, K. Langenbach, D. Browarzik, S. Enders:Cloud Point Pressure in the System Polyethylene + Ethylene – Impact of Branching. Fluid Phase Equilibr 2016, 428, 38-47.[doi]

S. Werth, M. Horsch, H. Hasse: Surface Tension of the Two center Lennard-Jones plus Point Dipole Fluid, J. Chem. Phys. 144 (2016) 054702/1-054702/10.[doi]

S. Werth, M. Kohns, K. Langenbach, M. Heilig, M. Horsch, H. Hasse: Interfacial and Bulk Properties of Vapor-liquid Equilibria in the System Toluene + Hydrogen Chloride + Carbon Dioxide by Molecular Simulation and Density Gradient Theory + PC-SAFT, Fluid Phase Equilib. 427 (2016) 219-230. [doi]

N. Asprion, R. Benfer, S. Blagov, R. Böttcher, M. Bortz, B. Maksym, J. Burger, E. v. Harbou, K. Küfer, H. Hasse: INES – An Interface Between Experiments and Simulation to Support the Development of Robust Process Designs, Chem. Ing. Tech. 87 (2015) 1810-1825.[doi]

M. Bortz, J. Burger, N. Asprion, S. Blagov, K.-H. Küfer, H. Hasse: On the Effort of Approaching Pure Components and Azeotropes in Distillation, Chem. Eng. Sci. 127 (2015) 253-259. [doi]

M. Bortz, V. Maag, J. Schwientek, R. Benfer, R. Böttcher, J. Burger, E. von Harbou, N. Asprion, K. Küfer, H. Hasse: Decision Support by Multicriteria Optimization in Process Development: An Integrated Approach for Robust Planning and Design of Plant Experiments, Proceedings of Computer Aided Chemical Engineering 37 (2015) 2063-2068.[doi] 

J. Burger, V. Papaioannou, S. Gopinath, G. Jackson, A. Galindo, C. S. Adjiman: A Hierarchical Method to Integrated Solvent and Process Design of Physical CO2 Absorption Using the SAFT-γ mie Approach, AIChE J. 61 (2015) 3249-3269.[doi]

J. M. Castillo, M. Klos, K. Jacobs, M. Horsch, H. Hasse: Characterization of Alkylsilane Self-assembled Monolayers by Molecular Simulation, Langmuir 31 (2015) 2630-2638. [doi]

A. Heinecke, W. Eckhardt, M. Horsch, H. J. Bungartz:Supercomputing for Molecular Dynamics Simulations. Springer: Heidelberg, 2015.[doi]

M. Horsch, H. Hasse: Molecular Modeling and Simulation in Fluid Process Engineering, ChemBioEng Reviews 2 (2015) 303-310. [doi]

K. Langenbach, C. Engin, S. Reiser, M. Horsch, H. Hasse: On the Simultaneous Description of H-bonding and Dipolar Interactions with Point Charges in Force Field Models, AIChE J. (2015) 2926-2932. [doi]

N. McCann, M. Imle, H. Hasse: Carbonate Complexes of Vanadate, Polyhedron 95 (2015) 81-85. [doi] 

F. Petlyuk, R. Danilov, J. Burger: A Novel Method for the Search and Identification of Feasible Splits of Extractive Distillations in Ternary Mixtures, Chem. Eng. Res. Des. 99 (2015) 132-148.[doi]

S. Reiser, M. Horsch, H. Hasse: Density of Methanolic Alkali Halide Salt Solutions by Experiment and Molecular Simulation, Journal of Chemical & Engineering Data 60 (2015) 1614-1628. [doi]

A. Scheithauer, T. Grützner, C. Rijksen, D. Zollinger, W. Thiel, E. v. Harbou, H. Hasse: 1H- and 13C-NMR Spectroscopic Study of Chemical Equilibria in the System Acetaldehyde + Water, AIChE J. 61 (2015) 177-187. [doi]

N. Schmitz, J. Burger, H. Hasse: Reaction Kinetics of the Formation of Poly(oxymethylene) Dimethyl Ethers from Formaldehyde and Methanol in Aqueous Solutions, Ind. Eng. Chem. Res. 54 (2015) 12553-12560.[doi]

N. Schmitz, F. Homberg, J. Berje, J. Burger, H. Hasse: Chemical Equilibrium of the Synthesis of Poly(oxymethylene) Dimethyl Ethers from Formaldehyde and Methanol in Aqueous Solutions, Ind. Eng. Chem. Res. 54 (2015) 6409-6417. [doi]

E. Von Harbou, H. T. Fabich, M. Benning, A. B. Tayler, A. J. Sederman, L. F. Gladden, D. J. Holland: Quantitative Mapping of Fhemical Compositions with MRI Using Compressed Sensing, J. Magn. Reson. 261 (2015) 27–37.[doi] 

S. Werth, M. Horsch, H. Hasse: Long-range Correction for Dipolar Fluids at Planar Interfaces, Mol. Phys. 113 (2015) 3750-3756.[doi]

S. Werth, M. Horsch, H. Hasse: Surface Tension of the Two Center Lennard-Jones plus Quadrupole Model Fluid, Fluid Phase Equilib. 392 (2015) 12-18. [doi]

S. Werth, M. Horsch, J. Vrabec, H. Hasse: Comment on “The Gas-liquid Surface Tension of Argon: A Reconciliation between Experiment and Simulation” [J. Chem. Phys. 140, 244710 (2014)], J. Chem. Phys. 142 (2015) 107101/1-107101/2. [doi]

S. Werth, K. Stöbener, P. Klein, K.-H. Küfer, M. Horsch, H. Hasse: Molecular Modelling and Simulation of the Surface Tension of Real Quadrupolar Fluids, Chem. Eng. Sci. 121 (2015) 110-117. [doi]

N. Asprion, R. Benfer, S. Blagov, R. Böttcher, M. Bortz, R. Welke, J. Burger, E. von Harbou, K.-H. Küfer, H. Hasse: INES – Interface between Experiments and Simulation, Proceedings of the 24th European Symposium on Computer Aided Process Engineering – ESCAPE 24, Budapest (Hungary), pp. 1159-1164 (2014). 

S. Becker, H. Urbassek, M. Horsch, H. Hasse: Contact Angle of Sessile Drops in Lennard-Jones Systems, Langmuir 30 (2014) 13606-13614. [doi]

M. Bortz, J. Burger, N. Asprion, S. Blagov, R. Böttcher, U. Nowak, A. Scheithauer, R. Welke, K. H. Küfer, H. Hasse: Multi-criteria optimization in chemical process design and decision support by navigation on Pareto sets, Computers & Chemical Engineering 60 (2014) 354-363. [doi]

A. Brächer, S. Hoch, K. Albert, H. J. Kost, B. Werner, E. von Harbou, H. Hasse: Thermostatted Micro-reactor NMR Probe Head for Monitoring Fast Reactions, J. Magn. Reson. 242 (2014) 155-161. [doi]

J. Burger, N. Asprion, S. Blagov, R. Böttcher, U. Nowak, M. Bortz, R. Welke, K.-H. Küfer, H. Hasse: Multi-Objective Optimization and Decision Support in Process Engineering – Implementation and Application, Chem. Ing. Tech. 86 (2014) 1065-1072. [doi] 

C. W. Glass, S. Reiser, G. Rutkai, S. Deublein, A. Köster, G. Guevara-Carrion, A. Wafai, M. Horsch, M. Bernreuther, T. Windmann, H. Hasse, J. Vrabec: ms2: A Molecular Simulation Tool for Thermodynamic Properties, New Version Release, Comput. Phys. Commun. 185 (2014) 3302-3306. [doi]

M. Horsch, H. Hasse: Molecular Simulation of Nano-dispersed Fluid Phases, Chem. Eng. Sci. 107 (2014) 235-244. [doi]

M. Horsch, H. Hasse: Molekulare Modellierung und Simulation in der Fluidverfahrenstechnik, Chem. Ing. Tech. 86 (2014) 982-990. [doi] 

M. Imle, E. v. Harbou, L. Brachert, K. Schaber, H. Hasse: Predicting Supersaturation by Rate-Based Simulations of Reactive Absorption, Chem. Eng. Sci. 118 (2014) 41-49. [doi]

É. J. Kibrik, O. Steinhof, G. Scherr, W. R. Thiel, H. Hasse: On-Line NMR Spectroscopic Reaction Kinetic Study of Urea–Formaldehyde Resin Synthesis, Ind. Eng. Chem. Res. 53 (2014) 12602-12613. [doi]

C. Niethammer, S. Becker, M. Bernreuther, M. Buchholz, W. Eckhardt, A. Heinecke, S. Werth, H. J. Bungartz, C. W. Glass, H. Hasse, J. Vrabec, M. Horsch: ls1 mardyn: The Massively Parallel Molecular Dynamics Code for Large Systems, Journal of Chemical Theory and Computation 10 (2014) 4455-4464. [doi]

L. Ninni, V. Ermatchkov, H. Hasse, G. Maurer: Swelling Behavior of Chemically Cross-linked Poly(N-IPAAm-allylglycine) Hydrogels: Effects of NaCl and pH, Fluid Phase Equilib. 361 (2014) 257-265. [doi]

L. Ninni, V. Ermatchkov, H. Hasse, G. Maurer: Equilibrium Swelling of (N-Isopropyl Acrylamide + Hydrophobic Comonomer) Gels in Aqueous Solutions of Ethanol, Fluid Phase Equilib. 382 (2014) 235-243. [doi]

L. Ninni, V. Ermatchkov, H. Hasse, G. Maurer: Equilibrium Swelling of Some Poly(N-IPAAm-sulfobetaine) Hydrogels in Water and in Aqueous Solutions of a Single Salt, Fluid Phase Equilib. 367 (2014) 194-203. [doi]

F. Petlyuk, R. Danilov, J. Burger: The Method of Infinitely Sharp Splits – A Novel Method for the Search and Identification of Possible Splits of Extractive Distillation, 10th Distillation & Absorption 2014 Proceedings (2014) 849-854.[doi]

I. G. Reichenbach, S. Becker, H. Hasse, J. C. Aurich: Machining Hydrophobic Structures with Ultra-Small Micro End Mills, Proceedings of the 14th International Conference of the European Society for Precision Engineering and Nanotechnology, Euspen, Bedford, Great Britain, ISBN 14: 978-0-9566790-3-1 (2014).

S. Reiser, S. Deublein, J. Vrabec, H. Hasse: Molecular Dispersion Energy Parameters for Alkali and Halide Ions in Aqueous Solution, J. Chem. Phys. 140 (2014) 1-4. [doi]

S. Reiser, M. Horsch, H. Hasse: Temperature Dependence of the Density of Aqueous Alkali Halide Salt Solutions by Experiment and Molecular Simulation, Journal of Chemical & Engineering Data 59 (2014) 3434-3448 [doi]

O. Ryll, S. Blagov, H. Hasse: Thermodynamic Analysis of Reaction-distillation Processes Based on Piecewise Linear Models,
Chem. Eng. Sci. 109 (2014) 284-295. [doi]

A. Scheithauer, T. Grützner, C. Rijksen, D. Zollinger, E. von Harbou, W. Thiel, H. Hasse: NMR Spectroscopic Study of the Aldoxane Formation in Aqueous Acetaldehyde Solutions, Ind. Eng. Chem. Res. 53 (2014) 8395-8403. [doi]

A. Scheithauer, E. von Harbou, H. Hasse, T. Grützner, C. Rijksen, D. Zollinger, W. Thiel: 1H- and 13C-NMR Spectroscopic Study of Chemical Equilibria in the System Acetaldehyde + Water, AIChE J. (2014).[doi]

O. Steinhof, E. J. Kibrik, G. Scherr, H. Hasse: Quantitative and Qualitative 1H, 13C, and 15N NMR Spectroscopic Investigation of the Urea–formaldehyde Resin Synthesis, Magnetic Resonance in Chemistry 52 (2014) 138-162. [doi]  [engrXiv]

K. Stöbener, P. Klein, S. Reiser, M. Horsch, K. H. Küfer, H. Hasse: Multicriteria Optimization of Molecular Force Fields by Pareto Approach, Fluid Phase Equilib. 373 (2014) 100-108. [doi]

I. von Harbou, S. Hoch, H. Mangalapally, R. Notz, G. Sieder, H. Garcia, O. Spuhl, H. Hasse: Removal of Carbon Dioxide from Flue Gases with Aqueous MEA Solution Containing Ethanol, Chemical Engineering and Processing: Process Intensification 75 (2014) 81-89. [doi]

I. von Harbou, M. Imle, H. Hasse: Modeling and Simulation of Reactive Absorption of CO2 with MEA: Results for Four Different Packings on Two Different Scales, Chem. Eng. Sci. 105 (2014) 179-190. [doi]

A. Werner, T. Blaschke, H. Hasse: Influence of Sodium Chloride on Hydrophobic Adsorption of PEGylated Lysozyme,
Engineering in Life Sciences 14 (2014) 100-105. [doi]

A. Werner, T. Blaschke, E. von Harbou, H. Hasse: Fully Automated Weighing of Liquid Substances with a Laboratory Robot, Chem. Eng. Technol. 37 (2014) 168-172. [doi]

A. Werner, E. Hackemann, H. Hasse: Temperature Dependence of Adsorption of PEGylated Lysozyme and Pure Polyethylene Glycol on a Hydrophobic Resin: Comparison of Isothermal Titration Calorimetry and Van’t Hoff Data, J. Chromatogr. A (2014) 188-196. [doi]

S. Werth, G. Rutkai, J. Vrabec, M. Horsch, H. Hasse: Long-Range Correction for Multi-Site Lennard-Jones Models and Planar Interfaces, Mol. Phys. 112(2014) 2227-2234. [doi]

T. Blaschke, A. Werner, H. Hasse: Microcalorimetric Study of the Adsorption of native and mono-PEGylated Bovine Serum Albumin on Anion-exchangers, J. Chromatogr. A 1277 (2013) 58-68. [doi]

J. Burger, H. Hasse: Multi-objective Optimization Using Reduced Models in Conceptual Design of a Fuel Additive Production Process, Chem. Eng. Sci. 99 (2013) 118-126. [doi]

J. Burger, E. Ströfer, H. Hasse: Production Process for Diesel Fuel Components Poly(oxymethylene) Dimethyl Ethers from Methane-based Products by Hierarchical Optimization with Varying Model Depth, Chem. Eng. Res. Des. 91 (2013) 2648-2662. [doi]

S. Deublein, P. Metzler, J. Vrabec, H. Hasse: Automated development of force fields for the calculation of thermodynamic properties: acetonitrile as a case study, Mol. Simul. 39 (2013) 109-118. [doi]

M. Dieterle, T. Blaschke, H. Hasse: Second Osmotic Virial Coefficients and Aggregation of Monoclonal Antibodies by Static Laser Light Scattering, Zeitschrift für Physikalische Chemie 227 (2013) 333-344. [doi]

W. Eckhardt, A. Heinecke, R. Bader, M. Brehm, N. Hammer, H. Huber, H.-G. Kleinhenz, J. Vrabec, H. Hasse, M. Horsch, M. Bernreuther, C. W. Glass, C. Niethammer, A. Bode, H. J. Bungartz: 591 TFLOPS Multi-trillion Particles Simulation on SuperMUC, in: J. M. Kunkel, T. Ludwig, H. W. Meuer (eds.): Supercomputing - XXVIII. International Supercomputing Conference (ISC 2013)pp. 1-12, Springer-Verlag, Heidelberg, ISBN 978-3-642-38749-4 (2013).

H. Hasse, I. von Harbou: Post Combustion Capture, in:  Carbon Capture and Storage in Europe,  German National Academy of Sciences Leopoldina, ISBN 978-3-8047-3180-6 (2013).

M. Horsch, C. Niethammer, J. Vrabec, H. Hasse: Computational Molecular Engineering as an Emerging Technology in Process Engineering, Information Technology 55 (2013) 97-101. [doi]

M. Horsch, S. Becker, J. M. Castillo, S. Deublein, A. Fröscher, S. Reiser, S. Werth, J. Vrabec, H. Hasse: Molecular Modelling and Simulation of Electrolyte Solutions, Biomolecules, and Wetting of Component Surfaces, in: W. E. Nagel, D. H. Kröner, M. M. Resch (eds.): High Performance Computing in Science and Engineering '13 - Transactions of the High Performance Computing Center, Stuttgart (HLRS), pp. 647-661, Springer, Cham - Heidelberg, ISBN 978-3-319-02164-5 (2013). [doi]

M. Imle, J. Kumelan, D. Speyer, N. McCann, G. Maurer, H. Hasse: Solubility of Carbon Dioxide in Activated Potash Solutions in the Low and High Gas Loading Regions, Ind. Eng. Chem. Res. 52 (2013) 13477-13489. [doi]

E. Kibrik, O. Steinhof, G. Scherr, W. Thiel, H. Hasse: Proof of Ether-bridged Condensation Products in UF Resins by 2D NMR Spectroscopy, Journal of Polymer Research 20 (2013) 1-10. [doi]

E. J. Kibrik, O. Steinhof, G. Scherr, W. R. Thiel, H. Hasse: 13C-NMR, 13C-13C gCOSY, and ESI-MS Characterization of Ether-bridged Condensation Products in N,N′-Dimethylurea-Formaldehyde Systems, Journal of Applied Polymer Science 128 (2013) 3957–3963. [doi]

N. McCann, M. Wagner, H. Hasse: A Thermodynamic Model for Vanadate in Aqueous Solution - Equilibria and Reaction Enthalpies, Dalton Transactions 42 (2013) 2622-2628. [doi]

T. Merker, C. M. Hsieh, S. T. Lin, H. Hasse, J. Vrabec: Fluid Phase Coexistence for the Oxidation of CO2 Expanded Cyclohexane: Experiment, Molecular Simulation and COSMO-SAC, AIChE J. (2013). [doi]

L. Ninni, V. Ermatchkov, H. Hasse, G. Maurer: Swelling Equilibrium of Hydrogels of (N-isopropyl Acrylamide + Anionic and Cationic Comonomers) in Aqueous Solutions of Sodium Chloride: Experimental Results and Modeling, Fluid Phase Equilib. 337 (2013) 137-149. [doi]

L. Ninni, V. Ermatchkov, H. Hasse, G. Maurer: Influence of Salt and pH on the Swelling Equilibrium of Ionizable N-IPAAm based Hydrogels: Experimental Results and Modeling, in: G. Sadowski, W. Richtering (eds.): Colloid and Polymer Science - Intelligent Hydrogels, Springer, Cham, ISBN ISBN 978-3-319-01682-5 (2013). [doi]

S. Parez, G. Guevara-Carrion, H. Hasse, J. Vrabec: Mutual Diffusion in the Ternary Mixture of Water plus Methanol plus Ethanol and its binary Subsystems, Phys. Chem. Chem. Phys. 15 (2013) 3985-4001. [doi]

O. Ryll, S. Blagov, H. Hasse: ∞/∞-Analysis of Heterogeneous Distillation Processes, Chem. Eng. Sci. 104 (2013) 374-388. [doi]

E. von Harbou, M. Schmitt, C. Grossmann, H. Hasse: A Novel Type of Equipment for Reactive Distillation: Model development, Simulation, Sensitivity, and Error Analysis, AIChE J. 59 (2013) 1533-1543. [doi]

E. von Harbou, M. Schmitt, H. Hasse: Morphological Analysis for the Development of Reliable Models for Heterogeneously Catalysed Reactive Distillation, Chem. Eng. Sci. 91 (2013) 134-145. [doi]

E. von Harbou, A. Yazdani, M. Schmitt, C. Grossmann, H. Hasse: Reaction Kinetics for Reactive Distillation Using Different Laboratory Reactors, Ind. Eng. Chem. Res. 52 (2013) 624-637. [doi]

I. von Harbou, H. P. Mangalapally, H. Hasse: Pilot Plant Experiments for Two New Amine Solvents for Post-Combustion Carbon Dioxide Capture, Int. J. Greenhouse Gas Control 18 (2013) 305-314. [doi]

M. Wagner, I. von Harbou, J. Kim, I. Ermatchkova, G. Maurer, H. Hasse: Solubility of Carbon Dioxide in Aqueous Solutions of Monoethanolamine in the Low and High Gas Loading Regions, Journal of Chemical & Engineering Data 58 (2013) 883-895. [doi]

M. Wagner, I. von Harbou, G. Maurer, H. Hasse: Carbon dioxide capture by reactive absorption: Modeling and simulation using rate-based models, Preprints of Papers - American Chemical Society, Division of Energy & Fuels, 58 (2013) 370-371.

A. Werner, H. Hasse: Experimental Study and Modeling of the Influence of Mixed Electrolytes on Adsorption of Macromolecules on a Hydrophobic Resin, J. Chromatogr. A 1315 (2013) 135-144. [doi]

S. Werth, S. V. Lishchuk, M. Horsch, H. Hasse: The Influence of the Liquid Slab Thickness on the Planar Vapor–liquid Interfacial Tension, Physica A: Statistical Mechanics and its Applications 392 (2013) 2359-2367. [doi]

N. Asprion, O. Ryll, S. Blagov, R. Böttcher, J. Burger, A. Scheithauer, H. Hasse, R. Welke, A. Dittel, M. Bortz, U. Nowak, K. H. Küfer: Pareto-Optimierung in der Verfahrenstechnik, Chem. Ing. Tech. 84 (2012) 1410-1410.

J. Burger, E. Ströfer, H. Hasse: Chemical Equilibrium and Reaction Kinetics of the Heterogeneously Catalyzed Formation of Poly(oxymethylene) Dimethyl Ethers from Methylal and Trioxane, Ind. Eng. Chem. Res. 51 (2012) 12751-12761.

S. Deublein, B. Eckl, J. Stoll, S. V. Lishchuk, G. Guevara-Carrion, C. W. Glass, T. Merker, M. Bernreuther, H. Hasse, J. Vrabec: ms2: Ein Werkzeug zur Berechnung thermodynamischer Stoffeigenschaften mittels molekularer Simulation Chemie - Ingenieur - Technik 84 (2012) 114-120.

S. Deublein, P. Metzler, J. Vrabec, H. Hasse: Automated Development of Force Fields for the Calculation of Thermodynamic Properties: Acetonitrile as a Case Study, Mol. Simul. (2012) 1-10.

S. Deublein, S. Reiser, J. Vrabec, H. Hasse: A Set of Molecular Models for Alkaline-Earth Cations in Aqueous Solution, J. Phys. Chem. B 116 (2012) 5448-5457.

S. Deublein, J. Vrabec, H. Hasse: A Set of Molecular Models for Alkali and Halide Ions in Aqueous Solution, J. Chem. Phys. 136 (2012) 084501.

J. O. Drunsel, M. Renner, H. Hasse: Experimental Study and Model of Reaction Kinetics of heterogeneously catalyzed Methylal Synthesis, Chem. Eng. Res. Des. 90 (2012) 696-703.

S. Eckelsbach, M. Bernreuther, C. Engin, G. Guevara-Carrion, Y.-L. Huang, T. Merker, H. Hasse, J. Vrabec: Molecular Modeling of Hydrogen Bonding Fluids: Phase Behavior of Industrial Fluids, in: W. E. Nagel, D. B. Kröner, M. M. Resch (eds.): High Performance Computing in Science and Engineering '11, pp. 567-579, Springer Berlin Heidelberg, ISBN 978-3-642-23869-7 (2012).

G. Guevara-Carrion, J. Vrabec, H. Hasse: Prediction of Transport Properties of Liquid Ammonia and Its Binary Mixture with Methanol by Molecular Simulation, Int. J. Thermophys. 33 (2012) 449-468.

G. Guevara-Carrion, J. Vrabec, H. Hasse: On the Prediction of Transport Properties of Monomethylamine, Dimethylamine, Dimethylether and Hydrogen Chloride by Molecular Simulation, Fluid Phase Equilib. 316 (2012) 46-54.

G. Guevara-Carrion, J. Vrabec, H. Hasse: Thermodynamic Properties for Applications in Chemical Industry via Classical Force Fields, in: B. Kirchner, J. Vrabec (eds.): Multiscale Molecular Methods in Applied Chemistry, pp. 201-250, Springer Berlin / Heidelberg, ISBN 978-3-642-24967-9 (2012).

M. Horsch, H. Hasse, A. K. Shchekin, A. Agarwal, S. Eckelsbach, J. Vrabec, E. A. Müller, G. Jackson: Excess Equimolar Radius of Liquid Drops, Phys. Rev. E 85 (2012) 031605.

Y. L. Huang, T. Merker, M. Heilig, H. Hasse, J. Vrabec: Molecular Modeling and Simulation of Vapor-Liquid Equilibria of Ethylene Oxide, Ethylene Glycol, and Water as Well as their Binary Mixtures, Ind. Eng. Chem. Res. 51 (2012) 7428-7440.

F. J. Keil, H. Hasse: Molecular Modeling and Simulation in Process and Materials Engineering, Soft Mater. 10 (2012) 1-2.

H. Mangalapally, R. Notz, N. Asprion, G. Sieder, H. Garcia, H. Hasse: Pilot Plant Study of Four New Solvents for Post Combustion Carbon Dioxide Capture by Reactive Absorption and Comparison to MEA, Int. J. Greenhouse Gas Control 8 (2012) 205-216.

T. Merker, J. Vrabec, H. Hasse: Gas Solubility of Carbon Dioxide and of Oxygen in Cyclohexanol by Experiment and Molecular Simulation, J. Chem. Thermodyn. 49 (2012) 114-118.

R. Notz, H. Mangalapally, H. Hasse: Post Combustion CO₂ Capture by Reactive Absorption: Pilot Plant Description and Results of Systematic Studies with MEA, Int. J. Greenhouse Gas Control 6 (2012) 84 - 112.

S. Reiser, N. McCann, M. Horsch, H. Hasse: Hydrogen Bonding of Ethanol in Supercritical Mixtures with CO₂ by ¹H-NMR Spectroscopy and Molecular Simulation, J. Supercrit. Fluids 68 (2012) 94-103.

D. J. Robbins, M. S. El-Bachir, L. F. Gladden, R. S. Cant, E. v. Harbou: CFD Modeling of Single-phase Fow in a Packed Bed with MRI Validation, AIChE J. 58 (2012) 3904–3915.

O. Ryll, S. Blagov, H. Hasse: ∞/∞-Analysis of homogeneous distillation processes, Chem. Eng. Sci. 84 (2012) 315-332.

O. Ryll, S. Blagov, H. Hasse: Convex Envelope Method for the Determination of Fluid Phase Diagrams, Fluid Phase Equilib. 324 (2012) 108-116.

J. Vrabec, G. Guevara-Carrion, C. Engin, T. Merker, B. Eckl, H. Hasse: Propiedades Termodinámicas del Amoniaco Mediante Simulación Molecular, Frío-calor y aire acondicionado 44 (2012) 12-16.

J. Walter, S. Deublein, S. Reiser, M. Horsch, J. Vrabec, H. Hasse: Atomistic Simulations of Electrolyte Solutions and Hydrogels with Explicit Solvent Models, in: W. E. Nagel, D. B. Kröner, M. M. Resch (eds.): High Performance Computing in Science and Engineering '11, pp. 185-199, Springer Berlin Heidelberg, ISBN 978-3-642-23869-7 (2012).

J. Walter, J. Sehrt, J. Vrabec, H. Hasse: Molecular Dynamics and Experimental Study of Conformation Change of Poly(N-isopropylacrylamide) Hydrogels in Mixtures of Water and Methanol, J. Phys. Chem. B 116 (2012) 5251-5259.

A. Werner, T. Blaschke, H. Hasse: Microcalorimetric Study of the Adsorption of PEGylated Lysozyme and PEG on a Mildly Hydrophobic Resin: Influence of Ammonium Sulfate, Langmuir 28 (2012) 11376-11383.

A. Werner, T. Blaschke, E. von Harbou, H. Hasse: Vollautomatisierte Einwaage flüssiger Substanzen mittels Laborroboter, Chem. Ing. Tech. 84 (2012) 530-534.

T. H. Yen, J. Vrabec, H. Hasse, C. K. Chen: A Molecular Dynamics Study on Rotational Motion of a Fluid in a Cylindrical Cavity, Journal of the Chinese Society of Mechanical Engineers 33 (2012) 75-81.

N. Asprion, S. Blagov, O. Ryll, R. Welke, A. Winterfeld, A. Dittel, M. Bortz, K. Küfer, J. Burger, A. Scheithauer, H. Hasse: Decision Support for Process Development in the Chemical Industry, The tenth International Conference on Chemical & Process Engineering - ICheaP-10 Florence, Italy, pp. 301-306, ISBN 978-88-95608-15-0 (2011).

N. Asprion, S. Blagov, O. Ryll, R. Welke, A. Winterfeld, A. Dittel, M. Bortz, K. H. Küfer, J. Burger, A. Scheithauer, H. Hasse: Pareto-Navigation in Chemical Engineering, 21st European Symposium on Computer Aided Process Engineering, Chalkidiki, Greece, pp. 422-426, ISBN 978-0-444-53895-6 (2011).

T. Blaschke, J. Varon, A. Werner, H. Hasse: Microcalorimetric Study of the Adsorption of PEGylated Lysozyme on a Strong Cation Exchange Resin, J. Chromatogr. A 1218 (2011) 4720-4726.

S. Deublein, B. Eckl, J. Stoll, S. V. Lishchuk, G. Guevara-Carrion, C. W. Glass, T. Merker, M. Bernreuther, H. Hasse, J. Vrabec: ms2: A Molecular Simulation Tool for Thermodynamic Properties, Comput. Phys. Commun. 182 (2011) 2350-2367.

C. Engin, T. Merker, J. Vrabec, H. Hasse: Flexible or Rigid Molecular Models? A Study on Vapour-Liquid Equilibrium Properties of Ammonia, Mol. Phys. 109 (2011) 619-624.

C. Engin, J. Vrabec, H. Hasse: On the Difference between a Point Multipole and an Equivalent Linear Arrangement of Point Charges in Force Field Models for Vapour–Liquid Equilibria; Partial Charge based Models for 59 Real Fluids, Mol. Phys. 109 (2011) 1975-1982.

G. Guevara-Carrion, J. Vrabec, H. Hasse: Prediction of Self-diffusion Coefficient and Shear Viscosity of Water and Its Binary Mixtures with Methanol and Ethanol by Molecular Simulation, J. Chem. Phys. 134 (2011) 074508.

M. Horsch, J. Vrabec, Z. Lin, T. Windmann, H. Hasse: The Air Pressure Effect on the Homogeneous Nucleation of Carbon Dioxide by Molecular Simulation, Atmos. Res. 101 (2011) 519-526.

Y. L. Huang, J. Vrabec, M. Heilig, H. Hasse: Vapor-Liquid Equilibria of Hydrogen Chloride, Phosgene, Benzene, Chlorobenzene, Ortho-Dichlorobenzene and Toluene by Molecular Simulation, AIChE J. 57 (2011) 1043-1060.

C. Kale, I. Tönnies, H. Hasse, A. Gorak: Simulation of Reactive Absorption: Model Validation for CO₂-MEA System, 21st European Symposium on Computer Aided Process Engineering, Chalkidiki, Greece, pp. 61-65, ISBN 1570-7946 (2011).

H. Mangalapally, H. Hasse: Pilot Plant Study of Two New Solvents for Post Combustion Carbon Dioxide Capture by Reactive Absorption and Comparison to Monoethanolamine, Chem. Eng. Sci. 66 (2011) 5512-5522.

H. P. Mangalapally, H. Hasse: Pilot Plant Study of Post-Combustion Carbon Dioxide Capture by Reactive Absorption: Methodology, Comparison of Different Structured Packings and Comprehensive Results for Monoethanolamine, Chem. Eng. Res. Des. 89 (2011) 1216-1228.

N. McCann, M. Maeder, H. Hasse: Prediction of the Overall Enthalpy of CO₂ Absorption in Aqueous Amine Systems from Experimentally Determined Reaction Enthalpies, GHGT-10, Amsterdam, Netherlands, pp. 1542-1549 (2011).

N. McCann, M. Maeder, H. Hasse: A Calorimetric Study of Carbamate Formation, J. Chem. Thermodyn. 43 (2011) 664-669.

T. Merker, N. Franke, R. Gläser, T. Schleid, H. Hasse: Gas Solubility in Binary Liquid Mixtures: Carbon Dioxide in Cyclohexane + Cyclohexanone, J. Chem. Eng. Data 56 (2011) 2477-2481.

T. Merker, J. Vrabec, H. Hasse: Molecular Simulation Study on the Solubility of Carbon Dioxide in Mixtures of Cyclohexane + Cyclohexanone, Fluid Phase Equilib. 315 (2011) 77-83.

R. Notz, I. Tönnies, H. P. Mangalapally, S. Hoch, H. Hasse: A Short-cut Method for Assessing Absorbents for Post Combustion Carbon Dioxide Capture, Int. J. Greenhouse Gas Control 5 (2011) 413-421.

R. Notz, I. Tönnies, N. McCann, G. Scheffknecht, H. Hasse: CO₂ Capture for Fossil Fuel-fired Power Plants, Chem. Eng. Technol. 34 (2011) 163-172.

B. Thomaß, J. Walter, M. Krone, H. Hasse, T. Ertl: Interactive Exploration of Polymer-Solvent Interactions, International Workshop on Vision, Modeling, and Visualization, Berlin, pp. 301-308, ISBN 978-3-905673-85-2 (2011).

I. Tönnies, H. Garcia, H. Mangalapally, S. Hoch, R. Notz, G. Sieder, B. Eck, H. Hasse: CO₂-Abtrennung aus Kraftwerksabgasen auf dem Weg von der Forschung und Entwicklung zur industriellen Anwendung, Chem. Ing. Tech. 83 (2011) 1005-1015.

I. Tönnies, H. Hasse: Klimawandel, Kohlekraftwerke, Chemietechnik!, Chemie & More 2 (2011) 40-43.

I. Tönnies, H. Mangalapally, H. Hasse: Sensitivity Study for the Rate-based Simulation of the Reactive Absorption of CO₂, GHGT10, Amsterdam, Netherlands, pp. 533-540 (2011).

E. Von Harbou, M. Schmitt, S. Parada, C. Grossmann, H. Hasse: Study of Heterogeneously Catalysed Reactive Distillation using the D+R tray – A Novel Type of Laboratory Equipment, Chem. Eng. Res. Des. 89 (2011) 1271-1280.

J. Vrabec, G. Guevara-Carrion, C. Engin, T. Merker, B. Eckl, H. Hasse: Thermodynamic Properties of Ammonia by Molecular Simulation, 4th International Conference Ammonia Refrigeration Technology, Ohrid, Macedonia (2011).

J. Vrabec, G. Guevara-Carrion, T. Merker, H. Hasse: Molecular Modeling of Hydrogen Bonding Fluids: Transport Properties and Vapor-Liquid Coexistence, in: W. E. Nagel, D. B. Kröner, M. M. Resch (eds.): High Perform. Comput. Sci. Eng. '10, pp. 543-551, Springer, Berlin (2011).

J. Burger, M. Siegert, E. Ströfer, H. Hasse: Poly(oxymethylene) Dimethyl Ethers as Components of Tailored Diesel Fuel: Properties, Synthesis and Purification Concepts, Fuel 89 (2010) 3315-3319.

M. Horsch, M. Heitzig, C. Dan, J. Harting, H. Hasse, J. Vrabec: Contact Angle Dependence on the Fluid - Wall Dispersive Energy, Langmuir 26 (2010) 10913-10917.

M. Horsch, M. Heitzig, T. Merker, T. Schnabel, Y.-L. Huang, H. Hasse, J. Vrabec: Molecular Modeling of Hydrogen Bonding Fluids: Vapor-Liquid Coexistence and Interfacial Properties, in: W. E. Nagel, D. B. Kröner, M. M. Resch (eds.): High Performance Computing and Engineering ‘09, pp. 471-483, Springer, Berlin, ISBN 978-3-642-04664-3 (2010).

H. Mangalapally, H. Hasse: Pilot Plant Experiments with MEA and new Solvents for Post Combustion CO₂ Capture by Reactive Absorption, Distillation Absorption 2010, Eindhoven, Netherlands, ISBN 978-90-386-2215-6 (2010).

H. Mangalapally, H. Hasse: Pilot Plant Experiments for Post Combustion Carbon Dioxide Capture by Reactive Absorption with Novel Solvents, Energy Procedia 4 (2010) 1-8.

T. Merker, C. Engin, J. Vrabec, H. Hasse: Molecular Model for Carbon Dioxide Optimized to Vapor-Liquid Equilibria, J. Chem. Phys. 132 (2010) 234512.

T. Merker, J. Vrabec, H. Hasse: Engineering Molecular Models: Efficient Parametrization Procedure and Cyclohexanol as Case Study, Soft Mater. 10 (2010) 3-25.

R. Notz, I. Tönnies, G. Scheffknecht, H. Hasse: CO₂-Abtrennung für fossil befeuerte Kraftwerke, Chem. Ing. Tech. 82 (2010) 1639-1653.

J. Walter, S. Deublein, J. Vrabec, H. Hasse: Development of Models for Large Molecules and Electrolytes in Solution for Process Engineering, in: W. E. Nagel, D. B. Kröner, M. M. Resch (eds.): High Performance Computing in Science and Engineering ‘09, pp. 165-176, Springer, Berlin, ISBN 978-3-642-04664-3 (2010).

J. Walter, V. Ermatchkov, J. Vrabec, H. Hasse: Molecular Dynamics and Experimental Study of Conformation Change of Poly(N-isopropylacrylamide)-hydrogels in Water, Fluid Phase Equilib. 296 (2010) 164-172.

M. Bernreuther, C. Niethammer, M. Horsch, J. Vrabec, S. Deublein, H. Hasse, M. Buchholz: Innovative HPC Methods and Application to Highly Scalable Molecular Simulation, InSiDE 7 (2009) 50-53.

P. G. Cifre, K. Brechtel, S. Hoch, H. Garcia, N. Asprion, H. Hasse, G. Scheffknecht: Integration of a Chemical Process Model in a Power Plant Modelling Tool for the Simulation of an Amine based CO₂ Scrubber, Fuel 88 (2009) 2481-2488.

B. Eckl, M. Horsch, J. Vrabec, H. Hasse: Molecular Modeling and Simulation of Thermophysical Properties: Application to Pure Substances and Mixtures, High Perform. Comput. Sci. Eng. '08 (2009) 119-133.

B. Eckl, T. Schnabel, J. Vrabec, M. Wendland, H. Hasse: Thermophysical Properties of Dry and Humid Air by Molecular Simulation Including Dew Point Calculations with the Mollier Ensemble, Ind. Eng. Chem. Res. 48 (2009) 10110-10119.

M. Horsch, J. Vrabec, M. Bernreuther, H. Hasse: Poiseuille Flow of Liquid Methane in Nanoscopic Graphite Channels by Molecular Dynamics Simulation, Proc. Int. Symp. Turbulence, Heat and Mass Transfer 6 (2009) 89-92.

Y. L. Huang, S. Miroshnichenko, H. Hasse, J. Vrabec: Henry's Law constant from Molecular Simulation: A Systematic Study of 95 Systems, Int. J. Thermophys. 30 (2009) 1791-1810.

Y. L. Huang, J. Vrabec, H. Hasse: Prediction of Ternary Vapor-Liquid Equilibria for 33 Systems by Molecular Simulation, Fluid Phase Equilib. 287 (2009) 62-69.

X. Luo, J. N. Knudsen, D. de Montigny, T. Sanpasertparnich, R. Idem, D. Gelowitz, R. Notz, S. Hoch, H. Hasse, E. Lemaire, P. Alix, F. A. Tobiesen, O. Juliussen, M. Kopckeh, H. F. Svendsen: Comparison and Validation of Simulation Codes against Sixteen Sets of Data from Four Different Pilot Plants, Energy Procedia 1 (2009) 1249-1256.

H. P. Mangalapally, R. Notz, S. Hoch, N. Asprion, G. Sieder, H. Garcia, H. Hasse: Pilot Plant Experimental Studies of Post Combustion CO₂ Capture by Reactive Absorption with MEA and new Solvents, Energy Procedia 1 (2009) 963-970.

T. Merker, G. Guevara-Carrion, J. Vrabec, H. Hasse: Molecular Modeling of Hydrogen Bonding Fluids: New Cyclohexanol Model and Transport Properties of Short Monohydric Alcohols, High Perform. Comput. Sci. Eng. '08 (2009) 529-541.

D. Naydenov, H. Hasse, G. Maurer, H.-J. Bart: Esterifications in Ionic Liquids with 1-Alkyl-3-Methylimidazolium Cation and Hydrogen Sulfate Anion: Conversion and Phase Equilibrium, Open Chem. Eng. J. 3 (2009) 17-26.

M. Schmitt, E. von Harbou, S. Parada, C. Grossmann, H. Hasse: New Equipment for Laboratory Studies of Heterogeneously Catalyzed Reactive Distillation, Chem. Eng. Technol. 32 (2009) 1313-1317.

F. Schurz, J. M. Bauchert, T. Merker, T. Schleid, H. Hasse, R. Glaser: Octahedral Molecular Sieves of the Type K-OMS-2 with Different Particle Sizes and Morphologies: Impact on the Catalytic Properties in the Aerobic Partial Oxidation of Benzyl Alcohol, Appl. Catal., A 355 (2009) 42-49.

J. Vrabec, M. Horsch, H. Hasse: Molecular Dynamics Based Analysis of Nucleation and Surface Energy of Droplets in Supersaturated Vapors of Methane and Ethane, ASME Journal of Heat Transfer 131 (2009).

J. Vrabec, Y. L. Huang, H. Hasse: Molecular Models for 267 Binary Mixtures Validated by Vapor-Liquid Equilibria: A Systematic Approach, Fluid Phase Equilib. 279 (2009) 120-135.

J. Vrabec, G. K. Kedia, U. Buchhauser, R. Meyer-Pittroff, H. Hasse: Thermodynamic Models for Vapor-Liquid Equilibria of Nitrogen plus Oxygen plus Carbon Dioxide at Low Temperatures, Cryogenics 49 (2009) 72-79.

J. Walter, J. Vrabec, H. Hasse: Simulation Study of the Influence of Temperature and Solvent Composition on the Volume Change of Synthetic Hydrogels, VIII Iberoamerican Conference on Phase Equilibria and Fluid Properties for Process Design, Praia da Rocha, Portugal, p. 11, ISBN 978-989-20-1694-8 (2009).

J. M. Bauchert, R. J. Gläser, H. Hasse, T. Schleid: Alkaline-Earth Metal Permanganates from Aqueous Solutions: M[MnO₄]₂ n H₂O (M = Mg, Ca, Sr, Ba; n = 0 – 6), Z. Kristallogr. Suppl. 27 (2008) 624.

J. M. Bauchert, S. Strobel, R. J. Gläser, H. Hasse, T. Schleid: Nickelpermanganat-Hexahydrat Ni[MnO₄]₂ •6 H₂O, ein weiterer “Permanganat-Zwilling”, Z. Anorg. Chem. 634 (2008) 2028.

T. Blaschke, M. Dieterle, H. Hasse: Biothermodynamische Untersuchung der Adsorption monoklonaler Antikörper an Ionentauschermaterialien, Chem. Ing. Tech. 80 (2008) 1295-1296.

W. Bottinger, M. Maiwald, H. Hasse: Online NMR Spectroscopic Study of Species Distribution in MEA-H₂O-CO₂ and DEA-H₂O-CO₂, Fluid Phase Equilib. 263 (2008) 131-143.

W. Bottinger, M. Maiwald, H. Hasse: Online NMR Spectroscopic Study of Species Distribution in MDEA-H₂O-CO₂ and MDEA-PIP-H₂O-CO₂, Ind. Eng. Chem. Res. 47 (2008) 7917-7926.

M. Dieterle, T. Blaschke, H. Hasse: Microcalorimetric Study of Adsorption of Human Monoclonal Antibodies on Cation Exchange Chromatographic Materials, J. Chromatogr. A 1205 (2008) 1-9.

B. Eckl, J. Vrabec, H. Hasse: Set of Molecular Models Based on Quantum Mechanical Ab Initio Calculations and Thermodynamic Data, J. Phys. Chem. B 112 (2008) 12710-12721.

B. Eckl, J. Vrabec, H. Hasse: Molecular Modelling and Simulation for the Process Design, Chem. Ing. Tech. 80 (2008) 25-33.

B. Eckl, J. Vrabec, H. Hasse: An Optimised Molecular Model for Ammonia, Mol. Phys. 106 (2008) 1039-1046.

B. Eckl, J. Vrabec, H. Hasse: On the Application of Force Fields for Predicting a Wide Variety of Properties: Ethylene Oxide as an Example, Fluid Phase Equilib. 274 (2008) 16-26.

G. Guevara-Carrion, C. Nieto-Draghi, J. Vrabec, H. Hasse: Prediction of Transport Properties by Molecular Simulation: Methanol and Ethanol and Their Mixture, J. Phys. Chem. B 112 (2008) 16664-16674.

M. Horsch, J. Vrabec, M. Bernreuther, S. Grottel, G. Reina, A. Wix, K. Schaber, H. Hasse: Homogeneous Nucleation in Supersaturated Vapors of Methane, Ethane and Carbon Dioxide Predicted by Brute Force Molecular Dynamics, J. Chem. Phys. 128 (2008) 164510.

M. Horsch, J. Vrabec, H. Hasse: Molecular Dynamics based Analysis of Nucleation and Surface Energy of Droplets in Supersaturated Vapors of Methane and Ethane, Proc. Micro/Nanoscale Heat Transfer Int. Conf. 2008, Pts a and B, pp. 185-186 (2008).

M. Horsch, J. Vrabec, H. Hasse: Modification of the Classical Nucleation Theory based on Molecular Simulation Data for Surface Tension, Critical Nucleus Size and Nucleation Rate, Phys. Rev. E 78 (2008) 011603.

M. Maiwald, O. Steinhof, C. Sleigh, M. Bernstein, H. Hasse: Quantitative High-Resolution Online NMR-Spectroscopy in Pharmaceutical Process Monitoring in: I. Wawer, B. Diehl, G. Holzgrabe (eds.): NMR Spectroscopy in Pharmaceutical Analysis, pp. 471-490, Elsevier Science, Amsterdam, Netherlands, ISBN 13-978-0444531735 (2008).

T. Merker, J. Vrabec, H. Hasse: Comment on "An optimized Potential for Carbon Dioxide" [J. Chem. Phys. 122, 214507 (2005)], J. Chem. Phys. 129 (2008).

R. Notz, S. Hoch, H. Mangalapally, K. Brechtel, G. Scheffknecht, H. Hasse: Gekoppelte Simulation eines Kohlekraftwerks mit zugehöriger MEA-Wäsche zur CO₂-Abtrennung und experimentelle Untersuchung neuer Lösungsmittel in einer Technikumsanlage, Chem. Ing. Tech. 80 (2008) 1364-1365.

O. Ryll, S. Blagov, H. Hasse: Computer based Conceptual Design of Distillation/Reaction Process, Chem. Ing. Tech. 80 (2008) 207-213.

F. Schaal, K. Schilling, H. Hasse: Separation Efficiency of Thin-Film Evaporators: Experiments with Water-Ethylene Glycol and Methanol-Water and Stage-Based Modeling, Chem. Eng. Process. 47 (2008) 209-214.

F. Schaal, T. Weimer, H. Hasse: Membrankontaktoren für Absorptionskälteanlagen und –wärmepumpen, KI Kälte, Luft, Klimatechnik (2008) 25-29.

F. Schaal, T. Weimer, H. Hasse: Membrane Contactors for Absorption Refrigeration, International Sorption Heat Pump Conference, Seoul, Korea (2008).

M. Schmitt, S. Blagov, H. Hasse: Mastering the Reaction Is the Key to Successful Design of Heterogeneously Catalyzed Reactive Distillation: A Comprehensive Case Study of Hexyl Acetate Synthesis, Ind. Eng. Chem. Res. 47 (2008) 6014-6024.

T. Schnabel, B. Eckl, Y. L. Huang, J. Vrabec, H. Hasse: Molecular Modeling of Hydrogen Bonding Fluids: Formic Acid and Ethanol+R227ea, High Perform. Comput. Sci. Eng. '07 (2008) 573-585.

T. Schnabel, J. Vrabec, H. Hasse: Molecular Simulation Study of Hydrogen Bonding Mixtures and New Molecular Models for Mono- and Dimethylamine, Fluid Phase Equilib. 263 (2008) 144-159.

J. Vrabec, B. Eckl, H. Hasse: Anwendung molekularer Methoden zur Vorhersage thermophysikalischer Stoffdaten am Beispiel Ethylenoxid, Chem. Ing. Tech. 80 (2008) 1297-1298.

J. M. Bauchert, R. J. Gläser, H. Hasse, I. Hartenbach, T. Schleid: Magnesiumpermanganat-Hexahydrat Mg[MnO₄]₂ •6 H₂O und seine Schrägbeziehung zum Lithiumpermanganat-Trihydrat Li[MnO₄]₂ •3 H₂O, Z. Kristallogr. Suppl. 25 (2007) 93.

B. Eckl, Y. L. Huang, J. Vrabec, H. Hasse: Vapor Pressure of R227ea+Ethanol at 343.13 K by Molecular Simulation, Fluid Phase Equilib. 260 (2007) 177-182.

T. Grützner, H. Hasse, N. Lang, M. Siegert, E. Strofer: Development of a new Industrial Process for Trioxane Production, Chem. Eng. Sci. 62 (2007) 5613-5620.

M. Maiwald, H. P. Li, T. Schnabel, K. Braun, H. Hasse: Online H-1 NMR Spectroscopic Investigation of Hydrogen Bonding in Supercritical and Near Critical CO₂-Methanol up to 35 MPa and 403 K, J. Supercrit. Fluids 43 (2007) 267-275.

M. Maiwald, O. Steinhof, H. Hasse: Online NMR-Spectroscopy - Measuring Compounds in Flow, Nachr. Chem. 55 (2007) 745-749.

R. Notz, N. Asprion, I. Clausen, H. Hasse: Selection and Pilot Plant Tests of new Absorbents for Post-Combustion Carbon Dioxide Capture, Chem. Eng. Res. Des. 85 (2007) 510-515.

M. Ottenbacher, H. Hasse: Continuous Three-Phase Distillation - A Process for Separating Thermally Unstable Substances, Chem. Eng. Res. Des. 85 (2007) 144-148.

S. Sander, C. Flisch, E. Geissier, H. Schoenmakers, O. Ryll, H. Hasse: Methyl Acetate Hydrolysis in a Reactive Divided Wall Column, Chem. Eng. Res. Des. 85 (2007) 149-154.

F. Schaal, T. Weimer, H. Mattes, H. Hasse: Experimentelle Untersuchung gekühlter Membranabsorber in einer Absorptionskälteanlage, Deutsche Kälte-Klima-Tagung, Hannover (2007).

T. Schnabel, M. Cortada, J. Vrabec, S. Lago, H. Hasse: Molecular Model for Formic Acid adjusted to Vapor-Liquid Equilibria, Chem. Phys. Lett. 435 (2007) 268-272.

T. Schnabel, A. Srivastava, J. Vrabec, H. Hasse: Hydrogen Bonding of Methanol in Supercritical CO₂: Comparison between H-1 NMR Spectroscopic Data and Molecular Simulation Results, J. Phys. Chem. B 111 (2007) 9871-9878.

T. Schnabel, J. Vrabec, H. Hasse: Unlike Lennard-Jones Parameters for Vapor-Liquid Equilibria, J. Mol. Liq. 135 (2007) 170-178.

T. Schnabel, J. Vrabec, H. Hasse: Molecular Modeling of Hydrogen Bonding Fluids: Monomethylamine, Dimethylamine and Water Revised, High Perform. Comput. Sci. Eng. '06 (2007) 515-525.

T. S. Schnabel, J. V. Vrabec, H. H. Hasse: Molekulare Modelle H-Brücken bildender Fluide: Entwicklung und Validierung anhand thermodynamischer und NMR-Daten, Chem. Ing. Tech. 79 (2007) 1421-1422.

J. Vrabec, A. Kumar, H. Hasse: Joule-Thomson Inversion Curves of Mixtures by Molecular Simulation in Comparison to Advanced Equations of State: Natural Gas as an Example, Fluid Phase Equilib. 258 (2007) 34-40.

J. M. Bauchert, R. J. Gläser, H. Hasse, T. Schleid, C. Schneck, S. Strobel: Die orthorhombische Struktur von Zn[MnO₄]₂ •6 H₂O aus verdrillingten Kristallen, Z. Anorg. All. Chem. 632 (2006) 2148.

S. Blagov, S. Parada, O. Bailer, P. Moritz, D. Lam, R. Weinand, H. Hasse: Influence of Ion-exchange Resin Catalysts on Side Reactions of the Esterification of n-Butanol with Acetic Acid, Chem. Eng. Sci. 61 (2006) 753-765.

G. A. Fernandez, J. Vrabec, H. Hasse: Shear Viscosity and Thermal Conductivity of Dipolar Real Fluids from Equilibrium Molecular Dynamics Simulation, Cryogenics 46 (2006) 711-717.

G. A. Fernandez, J. Vrabec, H. Hasse: Transport Properties of Anisotropic Polar Fluids 2. Dipolar Interaction, Fluid Phase Equilib. 249 (2006) 131-139.

G. A. Fernandez, J. Vrabec, H. Hasse: Transport Properties of Anisotropic Polar Fluids 1. Quadrupolar Interaction, Fluid Phase Equilib. 249 (2006) 120-130.

E. Geißler, C. Großmann, S. Sander, C. Flisch, O. Ryll, H. Hasse: Reaktive Trennwandkolonne am Beispiel der Methylacetat-Hydrolyse, Chem. Ing. Tech. 78 (2006) 1282-1283.

S. Grob, H. Hasse: Reaction Kinetics of the Homogeneously Catalyzed Esterification of 1-Butanol with Acetic Acid in a Wide Range of Initial Compositions, Ind. Eng. Chem. Res. 45 (2006) 1869-1874.

H. Hasse, B. Bessling, R. Böttcher: OPEN CHEMASIM^TM. Breaking Paradigms in Process Simulation, 16th European Symposium on Computer Aided Process Engineering and 9th International Symposium on Process Systems Engineering, Garmisch-Partenkirchen, pp. 255-260, ISBN 978-0-444-52257-3 (2006).

C. Kuhnert, M. Albert, S. Breyer, I. Hahnenstein, H. Hasse, G. Maurer: Phase Equilibrium in Formaldehyde Containing Multicomponent Mixtures: Experimental Results for Fluid Phase Equilibria of (Formaldehyde plus (Water or Methanol) plus Methylal) and (Formaldehyde plus Water plus Methanol plus Methylal) and Comparison with Predictions, Ind. Eng. Chem. Res. 45 (2006) 5155-5164.

C. Kuhnert, M. Albert, S. Breyer, I. Hahnenstein, H. Hasse, G. Maurer: Phase Equilibrium in Formaldehyde Containing Multicomponent Mixtures: Experimental Results for Fluid Phase Equilibria of (Formaldehyde plus (Water or Methanol) plus Methylal) and (Formaldehyde plus Water plus Methanol plus Methylal) and Comparison with Predictions (vol 45, pg 5155, 2006), Ind. Eng. Chem. Res. 45 (2006) 6093-6094.

M. Maiwald, T. Grützner, E. Strofer, H. Hasse: Quantitative NMR-Spectroscopy of Complex Technical Mixtures using a Virtual Reference: Chemical Equilibria and Reaction Kinetics of Formaldehyde-Water-1,3,5-Trioxane, Anal. Bioanal. Chem. 385 (2006) 910-917.

M. Ottenbacher, H. Hasse: Continuous Three Phase Distillation: A Process for Separating Thermally Instable Substances, AIChE Annual Meeting 2006, San Francisco, CA, USA, ISBN 0-8169-1012-X (2006).

O. Ryll, S. Blagov, H. Hasse: Thermodynamic Analysis of Multicomponent Distillation-Reaction Processes for Conceptual Process Design, International Conference on Distillation & Absorption London, UK, pp. 100-110, ISBN 0-85295-505-70 (2006).

S. Sander, C. Flisch, E. Geissler, H. Schoenmakers, O. Ryll, H. Hasse: Methyl Acetate Hydrolysis in a Reactive Divided Wall Column, International Conference on Distillation & Absorption, London, UK, pp. 353-363, ISBN 0-85295-505-70 (2006).

M. Schmitt, H. Hasse: Chemical Equilibrium and Reaction Kinetics of Heterogeneously Catalyzed n-Hexyl Acetate Esterification, Ind. Eng. Chem. Res. 45 (2006) 4123-4132.

T. Schnabel, J. Vrabec, H. Hasse: Henry's Law Constants of Methane, Nitrogen, Oxygen and Carbon Dioxide in Ethanol from 273 to 498 K: Prediction from Molecular Simulation (vol 233, pg 134, 2005), Fluid Phase Equilib. 239 (2006) 125-126.

T. Schnabel, J. Vrabec, H. Hasse: Molecular Modeling of Hydrogen Bonding Fluids, High Perform. Comput. Sci. Eng. '05 (2006) 319-328.

J. Vrabec, G. K. Kedia, G. Fuchs, H. Hasse: Comprehensive Study of the Vapour-Liquid Coexistence of the Truncated and Shifted Lennard-Jones Fluid including Planar and Spherical Interface Properties, Mol. Phys. 104 (2006) 1509-1527.

M. Albert, H. Hasse, C. Kuhnert, G. Maurer: New Experimental Results for the Vapor-Liquid Equilibrium of the Binary System (Trioxane plus Water) and the Ternary System (Formaldehyde plus Trioxane plus Water), J. Chem. Eng. Data 50 (2005) 1218-1223.

V. Bauch, R. J. Gläser, H. Hasse, T. Komm, K. Meyer, T. Schleid, C. Schneck: Neubestimmung der Kristallstruktur von Bariumpermanganat Ba[MnO₄]₂, Z. Kristallogr. Suppl. 22 (2005) 178.

S. Blagov, N. Asprion, H. Hasse: Stability Analysis of Molality-based Virial Expansion G(E)-Models, Fluid Phase Equilib. 227 (2005) 267-274.

S. Blagov, S. Parada, M. Schmitt, H. Hasse: Systematische Studien von Haupt- und Nebenreaktionen bei der heterogen katalysierten Reaktivdestillation, Chem. Ing. Tech. 77 (2005) 1243-1244.

G. Fernandez, J. Vrabec, H. Hasse: Self-diffusion and Binary Maxwell-Stefan Diffusion Coefficients of Quadrupolar Real Fluids from Molecular Simulation, Int. J. Thermophys. 26 (2005) 1389-1407.

G. A. Fernandez, J. Vrabec, H. Hasse: Shear Viscosity and Thermal Conductivity of Quadrupolar Real Fluids from Molecular Simulation, Mol. Simul. 31 (2005) 787-793.

S. Grob, H. Hasse: Thermodynamics of Phase and Chemical Equilibrium in a Strongly Nonideal Esterification System, J. Chem. Eng. Data 50 (2005) 92-101.

A. Linhart, C. C. Chen, J. Vrabec, H. Hasse: Thermal Properties of the Metastable Supersaturated Vapor of the Lennard-Jones Fluid, J. Chem. Phys. 122 (2005) 144506.

R. Notz, N. Asprion, I. Clausen, H. Hasse: Methode zur Auswahl neuer Lösungsmittel für die CO₂-Absorption aus Kraftwerksabgasen, Chem. Ing. Tech. 77 (2005) 1147-1148.

M. Ott, H. H. Fischer, M. Maiwald, K. Albert, H. Hasse: Kinetics of Oligomerization Reactions in Formaldehyde Solutions: NMR Experiments up to 373 K and Thermodynamically Consistent Model, Chem. Eng. Process. 44 (2005) 653-660.

M. Ott, H. Schoenmakers, H. Hasse: Distillation of Formaldehyde Containing Mixtures: Laboratory Experiments, Equilibrium Stage Modeling and Simulation, Chem. Eng. Process. 44 (2005) 687-694.

S. Parada, S. Blagov, H. Hasse, O. Bailer: Heterogeneously Catalyzed Cynthesis of n-Butyl Acetate: Reaction Kinetics, Side Reactions and Application to Reactive Distillation, AIChE Spring National Meeting, Atlanta, USA, ISBN 0-8169-0984-9 (2005).

F. Schaal, T. Weimer, H. Hasse: Einsatz gekühlter Membranabsorber in der Absorptionskältetechnik, Deutsche Kälte-Klima-Tagung, Würzburg, pp. 191-202, ISBN 3-932715-38-1 (2005).

M. Schmitt, H. Hasse: Phase Equlibria for Hexyl Acetate Reactive Distillation, J. Chem. Eng. Data 50 (2005) 1677-1683.

M. Schmitt, C. von Scala, P. Moritz, H. Hasse: n-Hexyl Acetate Pilot Plant Reactive Distillation with Modified Internals, Chem. Eng. Process. 44 (2005) 677-685.

T. Schnabel, J. Vrabec, H. Hasse: Henry's Law Constants of Methane, Nitrogen, Oxygen and Carbon Dioxide in Ethanol from 273 to 498 K: Prediction from Molecular Simulation, Fluid Phase Equilib. 233 (2005) 134-143.

T. Schnabel, J. Vrabec, H. Hasse: Henry's Law Constants of Methane, Nitrogen, Oxygen and Carbon Dioxide in Ethanol from 273 to 498 K: Prediction from Molecular Simulation (vol 233, pg 134, 2005), Fluid Phase Equilib. 236 (2005) 272-272.

K. Terelak, S. Trybula, A. Majchrzak, M. Ott, H. Hasse: Pilot Plant Formaldehyde Distillation: Experiments and Modelling, Chem. Eng. Process. 44 (2005) 671-676.

J. Vrabec, G. K. Kedia, H. Hasse: Prediction of Joule-Thomson Inversion Curves for Pure Fluids and One Mixture by Molecular Simulation, Cryogenics 45 (2005) 253-258.

J. Vrabec, J. Stoll, H. Hasse: Molecular Models of Unlike Interactions in Fluid Mixtures, Mol. Simul. 31 (2005) 215-221.

S. Blagov, S. Parada, O. Bailer, P. Moritz, D. Lam, H. Hasse: Oberflächensulfonierte Ionentauscher vermeiden Nebenreaktionen bei der heterogen katalysierten Veresterung, Chem. Ing. Tech. 76 (2004) 1294.

G. A. Fernandez, J. Vrabec, H. Hasse: Self Diffusion and Binary Maxwell-Stefan Diffusion in Simple Fluids with the Green-Kubo Method, Int. J. Thermophys. 25 (2004) 175-186.

G. A. Fernandez, J. Vrabec, H. Hasse: A Molecular Simulation Study of Shear and Bulk Viscosity and Thermal Conductivity of Simple Real Fluids, Fluid Phase Equilib. 221 (2004) 157-163.

T. Grützner, H. Hasse: Solubility of Formaldehyde and Trioxane in Aqueous Solutions, J. Chem. Eng. Data 49 (2004) 642-646.

M. Maiwald, H. H. Fischer, H. Hasse: Quantitative High-Resolution Online NMR-Spectroscopy in Reaction and Process Monitoring, Chem. Ing. Tech. 76 (2004) 965-969.

M. Maiwald, H. H. Fischer, Y. K. Kim, K. Albert, H. Hasse: Quantitative High-Resolution Online NMR-Spectroscopy in Reaction and Process Monitoring, J. Magn. Reson. 166 (2004) 135-146.

J. Stoll, J. Vrabec, H. Hasse: Prediction of Thermophysical Properties of Real Fluids with Molecular Models, Chem. Ing. Tech. 76 (2004) 891-895.

N. Asprion, H. Hasse, G. Maurer: Application of IR-Spectroscopy in Thermodynamic Investigations of Associating Solutions, Fluid Phase Equilib. 205 (2003) 195-214.

N. Asprion, H. Hasse, G. Maurer: Thermodynamic and IR Spectroscopic Studies of Solutions with Simultaneous Association and Solvation, Fluid Phase Equilib. 208 (2003) 23-51.

A. Beier, G. Kuranov, K. Stephan, H. Hasse: An uncommon Type of High-pressure Four-phase Equilibria in the System Carbon Dioxide plus Water plus 1-Hexanol, Russ. J. Phys. Chem. 77 (2003) 58-61.

A. Beier, J. Kuranov, K. Stephan, H. Hasse: High-pressure Phase Equilibria of Carbon Dioxide plus 1-Hexanol at 303.15 and 313.15 K, J. Chem. Eng. Data 48 (2003) 1365-1367.

A. Beier, K. Stephan, H. Hasse: Multiphase Equilibria in Ternary Fluid Mixtures under Elevated Pressure, Chem. Eng. Technol. 26 (2003) 1122-1126.

S. Blagov, H. Hasse: Synthesis of Multicomponent Distillation Line Maps for Conceptual Distillation Process Design with inf/inf-Analysis, Distillation, AIChE National Spring Meeting, New Orleans, USA, ISBN 0-8169-0942-3 (2003).

H. P. Kany, H. Hasse, G. Maurer: Thermodynamic Properties of Aqueous Poly(vinylpyrrolidone) Solutions from Laser-Light-Scattering, Membrane Osmometry and Isopiestic Measurements, J. Chem. Eng. Data 48 (2003) 689-698.

M. Maiwald, H. H. Fischer, H. Hasse: Quantitative hochauflösende Online-NMR-Spektroskopie im Reaktions- und Prozessmonitoring, Chem. Ing. Tech. 75 (2003) 1023.

M. Maiwald, H. H. Fischer, Y. K. Kim, H. Hasse: Quantitative Online High-Resolution NMR-Spectroscopy in Process Engineering Applications, Anal. Bioanal. Chem. 375 (2003) 1111-1115.

M. Maiwald, H. H. Fischer, M. Ott, R. Peschla, C. Kuhnert, C. G. Kreiter, G. Maurer, H. Hasse: Quantitative NMR-Spectroscopy of Complex Liquid Mixtures: Methods and Results for Chemical Equilibria in Formaldehyde-Water-Methanol at Temperatures up to 383 K, Ind. Eng. Chem. Res. 42 (2003) 259-266.

B. Memminger, B. Barczewski, N. Fütterer, J. Schlüpen, L. Fürst, H. Hasse: Microemulsion enhanced In-situ Remediation - Recycling Concepts for the Additive, ConSoil 2003, Gent, Belgium, pp. 3830-3833, ISBN 3830-3833 (2003).

M. Ott, H. Schoenmakers, H. Hasse: Distillation of Formaldehyde Containing Mixtures: Experiments, Modeling and Simulation, Distillation, AIChE National Spring Meeting, New Orleans, USA, ISBN 0-8169-0942-3 (2003).

K. Schilling, M. Sohn, E. Strofer, H. Hasse: Reactive Evaporation of Formaldehyde-containing Mixtures and Process Monitoring by Online NMR-Spectroscopy, Chem. Ing. Tech. 75 (2003) 240-244.

K. Schilling, M. Sohn, E. Ströfer, H. Hasse: Reactive Evaporation of Formaldehyde Containing Mixtures and Process Monitoring with NMR-Spectroscopy, Process Intensification, AIChE National Spring Meeting, New Orleans, USA, ISBN 0-8169-0942-3 (2003).

M. Schmitt, H. Hasse, K. Althaus, H. Schoenmakers, L. Gotze, P. Moritz: Synthesis of n-Hexyl Acetate by Reactive Distillation, Chem. Eng. Process. 43 (2003) 397-409.

M. Schmitt, H. Hasse, K. Althaus, H. Schoenmakers, C. v. Scala, P. Moritz: Synthesis of n-Hexyl Acetate by Reactive Distillation, Process Intensification, AIChE National Spring Meeting, New Orleans, USA, ISBN 0 8169-0942-3 (2003).

J. Stoll, J. Vrabec, H. Hasse: Comprehensive Study of the Vapour-Liquid Equilibria of the Pure Two-centre Lennard-Jones plus Pointdipole Fluid, Fluid Phase Equilib. 209 (2003) 29-53.

J. Stoll, J. Vrabec, H. Hasse: Vapor-Liquid Equilibria of Mixtures Containing Nitrogen, Oxygen, Carbon Dioxide and Ethane, AIChE J. 49 (2003) 2187-2198.

J. Stoll, J. Vrabec, H. Hasse: A Set of Molecular Models for Carbon Monoxide and Halogenated Hydrocarbons, J. Chem. Phys. 119 (2003) 11396-11407.

J. Vrabec, J. Stoll, H. Hasse: Molekulare Modelle thermophysikalischer Eigenschaften für die Verfahrenstechnik, Chem. Ing. Tech. 75 (2003) 998-999.

A. Beier, K. Stephan, H. Hasse: Multi-phase Equilibria in a Ternary Fluid System under Elevated Pressure, Chem. Ing. Tech. 74 (2002) 1130-1135.

S. Blagov, H. Hasse: Topological Analysis of Vapor Liquid Equilibrium Diagrams for Distillation Process Design, Phys. Chem. Chem. Phys. 4 (2002) 896-908.

H. Hasse: Thermodynamics of Reactive Separations, in: K. Sundmacher, A. Kienle (eds.): Reactive Distillation, Status and Future Directions, pp. 65-96, Wiley-VCH, Weinheim, ISBN 978-3-527-30579-7 (2002).

P. Moritz, S. Blagov, H. Hasse: Reactive Distillation by Heterogeneous Catalysis: Design and Scale-up using Methyl Acetate as an Example, Chem. Ing. Tech. 74 (2002) 1207-1218.

M. Schmitt, H. Hasse, K. Althaus, H. Schoenmakers, L. Götze, P. Moritz: Synthesis of n-Hexyl Acetate by Reactive Distillation, International Conference on Distillation and Absorption, Baden-Baden, ISBN 3-931384-37-3 (2002).

J. Vrabec, H. Hasse: Grand Equilibrium: Vapour-Liquid Equilibria by a new Molecular Simulation Method, Mol. Phys. 100 (2002) 3375-3383.

J. Vrabec, M. Kettler, H. Hasse: Chemical Potential of Quadrupolar Two-Centre Lennard-Jones Fluids by Gradual Insertion, Chem. Phys. Lett. 356 (2002) 431-436.

M. Albert, I. Hahnenstein, H. Hasse, G. Maurer: Vapor-Liquid and Liquid-Liquid Equilibria in Binary and Ternary Mixtures of Water, Methanol and Methylal, J. Chem. Eng. Data 46 (2001) 897-903.

N. Asprion, H. Hasse, G. Maurer: FT-IR Spectroscopic Investigations of Hydrogen Bonding in Alcohol-Hydrocarbon Solutions, Fluid Phase Equilib. 186 (2001) 1-25.

P. Moritz, S. Blagov, H. Hasse: Reactive Distillation Process Design and Scale-up, Separations Technology Topical Conference, AIChE Annual Meeting 2001, Reno, USA, pp. 906-913, ISBN 0-8169-9762-4 (2001).

P. Moritz, H. Hasse: Fluid-dynamic Design of Packings for Reactive Distillation, Chem. Ing. Tech. 73 (2001) 1554-1559.

J. Stoll, J. Vrabec, H. Hasse, J. Fischer: Comprehensive Study of the Vapour-Liquid Equilibria of the Pure Two-Centre Lennard-Jones Plus Pointquadrupole Fluid, Fluid Phase Equilib. 179 (2001) 339-362.

J. Vrabec, J. Stoll, H. Hasse: A Set of Molecular Models for Symmetric Quadrupolar Fluids, J. Phys. Chem. B 105 (2001) 12126-12133.

S. Blagov, B. Bessling, H. Schoenmakers, H. Hasse: Feasibility and Multiplicity in Reaction-Distillation Processes for Systems with Competing Irreversible Reactions, Chem. Eng. Sci. 55 (2000) 5421-5436.

H. P. Kany, H. Hasse, G. Maurer: Thermodynamic Properties of Aqueous Dextran Solutions from Laser-Light-Scattering, Membrane Osmometry and Isopiestic Measurements, J. Chem. Eng. Data 44 (1999) 230-242.

P. Moritz, H. Hasse: Fluid Dynamics in Reactive Distillation Packing Katapak (R)-S, Chem. Eng. Sci. 54 (1999) 1367-1374.

M. Wendland, H. Hasse, G. Maurer: Experimental Pressure-Temperature Data on Three- and Four-Phase Equilibria of Fluid, Hydrate and Ice Phases in the System Carbon Dioxide-Water, J. Chem. Eng. Data 44 (1999) 901-906.

T. Adrian, M. Wendland, H. Hasse, G. Maurer: High-pressure Multiphase Behaviour of Ternary Systems Carbon Dioxide-Water-Polar Solvent: Review and Modeling with the Peng-Robinson Equation of State, J. Supercrit. Fluids 12 (1998) 185-221.

N. Asprion, H. Hasse, G. Maurer: Limiting Activity Coefficients in Alcohol-Containing Organic Solutions from Headspace Gas Chromatography, J. Chem. Eng. Data 43 (1998) 74-80.

B. Bessling, H. Hasse, H. Schoenmakers, S. Blagov: Vergleich konventioneller und hybrider Verfahren für Systeme mit irreversiblen Reaktionen, Chem. Ing. Tech. 69 (1997) 1285-1286.

Y. G. Dobryakov, N. Asprion, H. Hasse, H. Maurer, I. M. Balashova: Temperature Dependence of Limiting Activity Coefficients of Components in Alcohol-hydrocarbon Systems, Theor. Found. Chem. Eng. 31 (1997) 550-557.

T. Adrian, H. Hasse, G. Maurer: Multiphase High-pressure Equilibria of Carbon Dioxide-Water-Propionic Acid and Carbon Dioxide-Water-Isopropanol, J. Supercrit. Fluids 9 (1996) 19-25.

M. Albert, I. Hahnenstein, H. Hasse, G. Maurer: Vapor-Liquid Equilibrium of Formaldehyde Mixtures: New Data and Model Revision, AIChE J. 42 (1996) 1741-1752.

H. Hasse, G. Maurer: 65. Anwendung spektroskopischer Methoden in thermodynamischen Untersuchungen fluider Mischungen, Chem. Ing. Tech. 68 (1996) 1108.

H. Hasse, M. Becker, K. Grossmann, G. Maurer: Top-down Model for Dynamic Simulation of Cold-storage Plants, Int. J. Refrig. 19 (1996) 10-18.

H. Hasse: Anwendungen der Spektroskopie in thermodynamischen Untersuchungen fluider Mischungen, in: Fortschritt-Berichte VDI Reihe 3 Nr. 458, VDI-Verlag, Düsseldorf, ISBN 3183458039 (1996).

M. Becker, H. Hasse, L. Litz: Fuzzy Control: Ein neuer Weg zur Automatisierung in der gewerblichen Kältetechnik, DKV-Tagung, Bonn (1995).

M. Becker, H. Hasse, L. Litz: Fuzzy Control - Ein neuer Weg zur Automatisierung in der Kältetechnik, Luft- und Klimatechnik 31 (1995) 232-236.

I. Hahnenstein, M. Albert, H. Hasse, C. G. Kreiter, G. Maurer: NMR Spectroscopic and Densimetric Study of Reaction Kinetics of Formaldehyde Polymer Formation in Water, Deuterium-Oxide and Methanol, Ind. Eng. Chem. Res. 34 (1995) 440-450.

H. Hasse, H. P. Kany, R. Tintinger, G. Maurer: Osmotic Virial-Coefficients of Aqueous Poly(ethylene glycol) from Laser-Light Scattering and Isopiestic Measurements, Macromolecules 28 (1995) 3540-3552.

T. Adrian, H. Hasse, M. Wendland, G. Maurer: Supercritical Multiphase Equilibria: Basic Data for the Design of new Separation Processes, 3rd International Symposium on Supercritical Fluids, Thermodynamics and Physico-Chemical Properties, Strasbourg, France, pp. 65-70, ISBN 2-905267-23-8 (1994).

M. Becker, D. Oestreich, H. Hasse, L. Litz: Fuzzy Control for Temperature and Humidity in Refrigeration Systems, Proceedings of the Third Ieee Conference on Control Applications, Vols 1-3 (1994) 1607-1612.

I. Hahnenstein, H. Hasse, Y.-Q. Liu, G. Maurer: Thermodynamic Properties of Formaldehyde Containing Mixtures for Separation Process Design, in: T. B. Selover, C. C. Chen, G. Thomson, S. Watanasiri (eds.): AIChE Symposium Series: Thermophysical Properties for Industrial Process Design, pp. 141-157, AIChE, New York (1994).

I. Hahnenstein, H. Hasse, C. G. Kreiter, G. Maurer: H-1-NMR and C-13-NMR Spectroscopic Study of Chemical-Equilibria in Solutions of Formaldehyde in Water, Deuterium-Oxide and Methanol, Ind. Eng. Chem. Res. 33 (1994) 1022-1029.

M. Wendland, H. Hasse, G. Maurer: Multiphase High-pressure Equilibria of Carbon-Dioxide Water Acetone, J. Supercrit. Fluids 7 (1994) 245-250.

M. Becker, H. Hasse, P. Kosack, G. Maurer, H. Scherer: Thermodynamisches Modell zur Simulation dynamischer Vorgänge im gekoppelten System Kälteanlage/Kühlraum, DKV-Tagung, Bremen (1993).

C. Grossmann, H. Hasse: Gvc Committee on Thermodynamics, Chem. Ing. Tech. 65 (1993) 12-14.

M. Wendland, H. Hasse, G. Maurer: Multiphase High-pressure Equilibria of Carbon-Dioxide-Water-Isopropanol, J. Supercrit. Fluids 6 (1993) 211-222.

H. Hasse, G. Maurer: Heat of Dilution in Aqueous and Methanolic Formaldehyde Solutions, Ber. Bunsen Phys. Chem. 96 (1992) 83-96.

Y. Q. Liu, H. Hasse, G. Maurer: Enthalpy Change on Vaporization of Aqueous and Methanolic Formaldehyde Solutions, AIChE J. 38 (1992) 1693-1702.

H. Hasse, G. Maurer: Kinetics of the Poly(oxymethylene) Glycol Formation in Aqueous Formaldehyde Solutions, Ind. Eng. Chem. Res. 30 (1991) 2195-2200.

H. Hasse, G. Maurer: Vapor-Liquid-Equilibrium of Formaldehyde-containing Mixtures at Temperatures below 320 K, Fluid Phase Equilib. 64 (1991) 185-199.

H. Hasse: Dampf-Flüssigkeits Gleichgewichte, Enthalpie und Reaktionskinetik in formaldehydhaltigen Mischungen. Dissertation, Universität Kaiserslautern, Kaiserslautern, 1990.

H. Hasse, I. Hahnenstein, G. Maurer: Revised Vapor-Liquid-Equilibrium Model for Multicomponent Formaldehyde Mixtures, AIChE J. 36 (1990) 1807-1814.