Hans Hasse

发表

Minimizing the Impact of Uncertain Model Parameters on Process Design

Michael Bortz, Jan Schwientek, Karl-Heinz Küfer, 2015 .

Molecular Modeling of Hydrogen Bonding Fluids: Transport Properties and Vapor-Liquid Coexistence

Hans Hasse, Jadran Vrabec, Gabriela Guevara-Carrion, 2010, High Performance Computing in Science and Engineering.

THE D+R TRAY: NOVEL LABORATORY EQUIPMENT FOR STUDYING HETEROGENEOUSLY CATALYZED REACTIVE DISTILLATION - DESIGN AND SIMULATION-BASED VALIDATION

Hans Hasse, Erik von Harbou, Markus Schmitt, 2010 .

Die Entwicklung der Verfahrenstechnik an der TU Kaiserslautern

Hans Hasse, Sergiy Antonyuk, Hans-Jörg Bart, 2020 .

A new scheme for process simulation by optimization: distillation as an example

Michael Bortz, Jakob Burger, Hans Hasse, 2016 .

Molecular Modeling of Hydrogen Bonding Fluids: Phase Behavior of Industrial Fluids

Hans Hasse, Jadran Vrabec, Gabriela Guevara-Carrion, 2011, High Performance Computing in Science and Engineering.

Molecular Dynamics Simulation of Nanoscopic Couette Flow and Lubricated Nanoindentation

Hans Hasse, Martin Horsch, Simon Stephan, 2016, 2016 IEEE 23rd International Conference on High Performance Computing Workshops (HiPCW).

INES – An Interface Between Experiments and Simulation to Support the Development of Robust Process Designs

Michael Bortz, Jakob Burger, Hans Hasse, 2015 .

TweTriS: Twenty trillion-atom simulation

Michael M. Resch, Hans-Joachim Bungartz, Nikola Tchipev, 2019, Int. J. High Perform. Comput. Appl..

Round Robin Study: Molecular Simulation of Thermodynamic Properties from Models with Internal Degrees of Freedom.

Hans Hasse, Kai Leonhard, Johannes Lenhard, 2017, Journal of chemical theory and computation.

Vollautomatisierte Einwaage flüssiger Substanzen mittels Laborroboter

Hans Hasse, Erik von Harbou, Albert Werner, 2012 .

ls1 mardyn: The massively parallel molecular dynamics code for large systems

Stefan Becker, Hans-Joachim Bungartz, Hans Hasse, 2014, Journal of chemical theory and computation.

ms2: A molecular simulation tool for thermodynamic properties, new version release

Hans Hasse, Colin W. Glass, Martin Horsch, 2014, Comput. Phys. Commun..

Pareto-Navigation in Chemical Engineering

Richard Welke, Michael Bortz, Jakob Burger, 2011 .

Morphological analysis for the development of reliable models for heterogeneously catalysed reactive distillation

Hans Hasse, Erik von Harbou, Markus Schmitt, 2013 .

Molecular Modeling and Simulation in Fluid Process Engineering

Hans Hasse, Martin Horsch, 2015 .

Machine Learning in Thermodynamics: Prediction of Activity Coefficients by Matrix Completion.

Marius Kloft, Hans Hasse, Stephan Mandt, 2020, The journal of physical chemistry letters.

A novel approach for infeasible path optimization of distillation-based flowsheets

Jakob Burger, Hans Hasse, Norbert Asprion, 2020 .

Open chemasimTM: Breaking paradigms in process simulation

Bernd Bessling, Hans Hasse, Roger Böttcher, 2006 .

A Simple Way for Implementing Extraction Columns of Infinite Height in Flowsheet Simulators

Jakob Burger, Hans Hasse, Martin Kaul, 2019 .

Molecular Modeling of Hydrogen Bonding Fluids: New Cyclohexanol Model and Transport Properties of Short Monohydric Alcohols

Hans Hasse, Jadran Vrabec, Thorsten Merker, 2008, High Performance Computing in Science and Engineering.

Molecular simulation of the surface tension of real fluids pdf

Hans Hasse, Martin Horsch, Stephan Werth, 2016, ArXiv.

Decision Support by Multicriteria Optimization in Process Development: An Integrated Approach for Robust Planning and Design of Plant Experiments

Michael Bortz, Jan Schwientek, Jakob Burger, 2015 .

A Pareto‐Based Approach to Optimal Design of Experiments

Michael Bortz, Jakob Burger, E. von Harbou, 2016 .

Molecular Modeling of Hydrogen Bonding Fluids

Hans Hasse, Jadran Vrabec, Thorsten Schnabel, 2006, High Performance Computing in Science and Engineering.

Molecular Modeling and Simulation of Thermophysical Properties: Application to Pure Substances and Mixtures

Hans Hasse, Martin Horsch, Jadran Vrabec, 2009, High Performance Computing in Science and Engineering.

Decision Support for Process Development in the Chemical Industry

Richard Welke, Michael Bortz, Jakob Burger, 2011 .

Comparison and validation of simulation codes against sixteen sets of data from four different pilot plants

Xiao Luo, Hans Hasse, Finn Andrew Tobiesen, 2009 .

Post combustion CO2 capture by reactive absorption: Pilot plant description and results of systematic studies with MEA

Hans Hasse, Ralf Notz, Hari Prasad Mangalapally, 2012 .

Fuzzy control: ein neuer Weg zur Automatisierung in der Kältetechnik

Lothar Litz, Hans Hasse, M. Becker, 1995 .

Multi‐Objective Optimization and Decision Support in Process Engineering – Implementation and Application

Richard Welke, Michael Bortz, Jakob Burger, 2014 .

Process Design in World 3.0 – Challenges and Strategies to Master the Raw Material Change

Jakob Burger, Hans Hasse, Eckhard Ströfer, 2016 .

Round Robin Study of Molecular Simulation Programs

Hans Hasse, Michael Schappals, 2016, 2016 IEEE 23rd International Conference on High Performance Computing Workshops (HiPCW).

Fully Automated Weighing of Liquid Substances with a Laboratory Robot

Hans Hasse, Erik von Harbou, Albert Werner, 2014 .

Multi-criteria optimization in chemical process design and decision support by navigation on Pareto sets

Michael Bortz, Hans Hasse, Norbert Asprion, 2014, Comput. Chem. Eng..

Decision Support in an Interface between Experiments and Simulation

Michael Bortz, Jan Schwientek, Hans Hasse, 2014 .

Thermophysical Properties of the Lennard-Jones Fluid: Database and Data Assessment

Hans Hasse, Jadran Vrabec, Simon Stephan, 2019, J. Chem. Inf. Model..

Computational Molecular Engineering as an Emerging Technology in Process Engineering

Hans Hasse, Martin Horsch, Jadran Vrabec, 2013, it Inf. Technol..

ms2: A molecular simulation tool for thermodynamic properties

Hans Hasse, Colin W. Glass, Jadran Vrabec, 2011, Comput. Phys. Commun..

Multi-objective optimization using reduced models in conceptual design of a fuel additive production process

Jakob Burger, Hans Hasse, J. Burger, 2013 .

Molecular Modelling and Simulation of Electrolyte Solutions, Biomolecules, and Wetting of Component Surfaces

Stefan Becker, Hans Hasse, Martin Horsch, 2013, High Performance Computing in Science and Engineering.

Hierarchical Design of Extraction-distillation Processes using Short-cut Apparatus Models with Piece-wise Linearized Thermodynamics

Jakob Burger, Hans Hasse, M. Kaul, 2018, Chemical Engineering Science.

ms2: A molecular simulation tool for thermodynamic properties, release 3.0

Hans Hasse, Colin W. Glass, Martin Horsch, 2017, Comput. Phys. Commun..

INES – Interface between Experiments and Simulation

Richard Welke, Michael Bortz, Jakob Burger, 2014 .

Atomistic Simulations of Electrolyte Solutions and Hydrogels with Explicit Solvent Models

Hans Hasse, Martin Horsch, Jadran Vrabec, 2011, High Performance Computing in Science and Engineering.

Interactive Exploration of Polymer-Solvent Interactions

Thomas Ertl, Michael Krone, Hans Hasse, 2011, VMV.

Molecular modelling and simulation of the surface tension of real quadrupolar fluids pdf

Hans Hasse, Karl-Heinz Küfer, Martin Horsch, 2014, ArXiv.

Multi‐Criteria Optimization of Equations‐of‐State Models Using Water and PCP‐SAFT as an Example

Michael Bortz, Jakob Burger, Hans Hasse, 2016 .

591 TFLOPS Multi-trillion Particles Simulation on SuperMUC

Hans-Joachim Bungartz, Arndt Bode, Hans Hasse, 2013, ISC.

Automated Methods for Identification and Quantification of Structural Groups from Nuclear Magnetic Resonance Spectra Using Support Vector Classification

Hans Hasse, Thomas Specht, Kerstin Münnemann, 2021, J. Chem. Inf. Model..

Attribute-based Explanation of Non-Linear Embeddings of High-Dimensional Data

Hans Hasse, Heike Leitte, Jan-Tobias Sohns, 2022, IEEE Transactions on Visualization and Computer Graphics.

ms2: A molecular simulation tool for thermodynamic properties, release 4.0

Hans Hasse, Jadran Vrabec, Gabriela Guevara-Carrion, 2021, Comput. Phys. Commun..

Attribute-based Explanation of Non-Linear Embeddings of High-Dimensional Data pdf

Hans Hasse, Heike Leitte, Jan-Tobias Sohns, 2021, IEEE Transactions on Visualization and Computer Graphics.

Solvent activity in electrolyte solutions from molecular simulation of the osmotic pressure.

Hans Hasse, Martin Horsch, Steffen Reiser, 2016, The Journal of chemical physics.

Set of molecular models based on quantum mechanical ab initio calculations and thermodynamic data.

Hans Hasse, Jadran Vrabec, Bernhard Eckl, 2008, The journal of physical chemistry. B.

Reactive Distillation in a Dividing‐Wall Column: Model Development, Simulation, and Error Analysis

Michael Bortz, Hans Hasse, Erik von Harbou, 2017 .

Contact angle dependence on the fluid-wall dispersive energy.

Hans Hasse, Martina Heitzig, Jens Harting, 2010, Langmuir : the ACS journal of surfaces and colloids.

New Equipment for Laboratory Studies of Heterogeneously Catalyzed Reactive Distillation

E. von Harbou, Hans Hasse, Sandra Parada, 2009 .

Production process for diesel fuel components poly(oxymethylene) dimethyl ethers from methane-based products by hierarchical optimization with varying model depth

Jakob Burger, Hans Hasse, J. Burger, 2013 .

Convex envelope method for the determination of fluid phase diagrams

Hans Hasse, Sergej Blagov, O. Ryll, 2012 .

Pilot plant study of post-combustion carbon dioxide capture by reactive absorption: Methodology, comparison of different structured packings, and comprehensive results for monoethanolamine

Hans Hasse, Hari Prasad Mangalapally, H. Hasse, 2011 .

Multicriteria optimization of molecular force fields by Pareto approach

Hans Hasse, Karl-Heinz Küfer, Martin Horsch, 2014 .

Molecular dynamics and experimental study of conformation change of poly(N-isopropylacrylamide) hydrogels in water

Hans Hasse, Jadran Vrabec, Jonathan Walter, 2010 .

Molecular Modeling of Hydrogen Bonding Fluids: Monomethylamine, Dimethylamine, and Water Revised

Hans Hasse, Jadran Vrabec, Thorsten Schnabel, 2007 .

Molecular simulation of nano-dispersed fluid phases

Hans Hasse, Martin Horsch, H. Hasse, 2013, 1307.5638.

Molecular models of unlike interactions in fluid mixtures

Hans Hasse, Jadran Vrabec, Jürgen Stoll, 2005 .

Efficient Approach for Calculating Pareto Boundaries under Uncertainties in Chemical Process Design

Michael Bortz, Jan Schwientek, Jakob Burger, 2017 .

Boon and Bane: On the Role of Adjustable Parameters in Simulation Models

Hans Hasse, Johannes Lenhard, J. Lenhard, 2017 .

Digitalization in Thermodynamics

Michael Bortz, Jakob Burger, Hans Hasse, 2019, Chemie Ingenieur Technik.

Molecular simulation of the surface tension of 33 multi-site models for real fluids

Hans Hasse, Martin Horsch, Stephan Werth, 2017 .

Pilot plant experiments for post combustion carbon dioxide capture by reactive absorption with novel solvents

Hans Hasse, Hari Prasad Mangalapally, H. Hasse, 2011 .

Vapor–liquid equilibria of hydrogen chloride, phosgene, benzene, chlorobenzene, ortho‐dichlorobenzene, and toluene by molecular simulation

Hans Hasse, Jadran Vrabec, Yow-Lin Huang, 2011 .

On the application of force fields for predicting a wide variety of properties: Ethylene oxide as an example

Hans Hasse, Jadran Vrabec, Bernhard Eckl, 2008 .

A set of molecular models for alkali and halide ions in aqueous solution.

Hans Hasse, Jadran Vrabec, Stephan Deublein, 2012, The Journal of chemical physics.

Vapor−Liquid Interface of the Lennard-Jones Truncated and Shifted Fluid: Comparison of Molecular Simulation, Density Gradient Theory, and Density Functional Theory

Hans Hasse, Simon Stephan, Walter G. Chapman, 2018, The Journal of Physical Chemistry C.

Molecular simulation study on the solubility of carbon dioxide in mixtures of cyclohexane + cyclohexanone

Hans Hasse, Jadran Vrabec, Thorsten Merker, 2012 .

Comprehensive study of the vapour–liquid coexistence of the truncated and shifted Lennard–Jones fluid including planar and spherical interface properties

Hans Hasse, Jadran Vrabec, H. Hasse, 2006 .

Chemical Equilibrium of the Synthesis of Poly(oxymethylene) Dimethyl Ethers from Formaldehyde and Methanol in Aqueous Solutions

Jakob Burger, Hans Hasse, Fabian Homberg, 2015 .

Hydrogen bonding of methanol in supercritical CO2: comparison between 1H NMR spectroscopic data and molecular simulation results.

Hans Hasse, Jadran Vrabec, Anupam Srivastava, 2007, The journal of physical chemistry. B.

A Set of Molecular Models for Symmetric Quadrupolar Fluids

Hans Hasse, Jadran Vrabec, H. Hasse, 2001 .

The air pressure effect on the homogeneous nucleation of carbon dioxide by molecular simulation

Hans Hasse, Martin Horsch, Jadran Vrabec, 2010, 1001.1857.

Thermodynamic properties for applications in chemical industry via classical force fields.

Hans Hasse, Jadran Vrabec, Gabriela Guevara-Carrion, 2012, Topics in current chemistry.

Multi-criteria Optimization for Parameterization of SAFT-type Equations of State for Water

Michael Bortz, Jakob Burger, Hans Hasse, 2018 .

Modification of the classical nucleation theory based on molecular simulation data for surface tension, critical nucleus size, and nucleation rate.

Hans Hasse, Martin Horsch, Jadran Vrabec, 2008, Physical review. E, Statistical, nonlinear, and soft matter physics.

Thermal properties of the metastable supersaturated vapor of the Lennard-Jones fluid.

Hans Hasse, Chin-Cheng Chen, Jadran Vrabec, 2005, The Journal of chemical physics.

Development of an Integrated Reaction–Distillation Process for the Production of Methylal

Jakob Burger, Hans Hasse, Sergej Blagov, 2017 .

Molecular simulation study of hydrogen bonding mixtures and new molecular models for mono- and dimethylamine

Hans Hasse, Jadran Vrabec, Thorsten Schnabel, 2008 .

Interfacial properties of binary Lennard-Jones mixtures by molecular simulation and density gradient theory.

Hans Hasse, Simon Stephan, Kai Langenbach, 2019, The Journal of chemical physics.

Thermodynamic analysis of reaction-distillation processes based on piecewise linear models

Hans Hasse, Sergej Blagov, O. Ryll, 2014 .

Study of heterogeneously catalysed reactive distillation using the D+R tray—A novel type of laboratory equipment

Hans Hasse, Erik von Harbou, Sandra Parada, 2011 .

Analysis of homogeneous distillation processes

Hans Hasse, Sergej Blagov, O. Ryll, 2012 .

A set of molecular models for alkaline-earth cations in aqueous solution.

Hans Hasse, Jadran Vrabec, Steffen Reiser, 2012, The journal of physical chemistry. B.

Molecular Modeling and Simulation of Vapor–Liquid Equilibria of Ethylene Oxide, Ethylene Glycol, and Water as Well as their Binary Mixtures

Hans Hasse, Jadran Vrabec, Thorsten Merker, 2012 .

Sensitivity study for the rate-based simulation of the reactive absorption of CO2

Hans Hasse, Hari Prasad Mangalapally, Inga Tönnies, 2011 .

Mutual diffusion in the ternary mixture of water + methanol + ethanol and its binary subsystems.

Hans Hasse, Jadran Vrabec, Gabriela Guevara-Carrion, 2013, Physical chemistry chemical physics : PCCP.

Prediction of Joule–Thomson inversion curves for pure fluids and one mixture by molecular simulation

Hans Hasse, Jadran Vrabec, H. Hasse, 2005 .

Density of Methanolic Alkali Halide Salt Solutions by Experiment and Molecular Simulation

Hans Hasse, Martin Horsch, Steffen Reiser, 2015 .

Excess equimolar radius of liquid drops.

Hans Hasse, Martin Horsch, Jadran Vrabec, 2011, Physical review. E, Statistical, nonlinear, and soft matter physics.

A short-cut method for assessing absorbents for post-combustion carbon dioxide capture

Hans Hasse, Ralf Notz, Hari Prasad Mangalapally, 2011 .

Integration of a chemical process model in a power plant modelling tool for the simulation of an amine based CO2 scrubber

Hans Hasse, Norbert Asprion, Günter Scheffknecht, 2009 .

The influence of the liquid slab thickness on the planar vapor–liquid interfacial tension

Hans Hasse, Martin Horsch, Stephan Werth, 2013, 1301.2546.

Molecular dynamics and experimental study of conformation change of poly(N-isopropylacrylamide) hydrogels in mixtures of water and methanol.

Hans Hasse, Jadran Vrabec, Jonathan Walter, 2012, The journal of physical chemistry. B.

Online process monitoring of a batch distillation by medium field NMR spectroscopy

Hans Hasse, Erik von Harbou, Kerstin Münnemann, 2020 .

A set of molecular models for carbon monoxide and halogenated hydrocarbons

Hans Hasse, Jadran Vrabec, Jürgen Stoll, 2003 .

Engineering Molecular Models: Efficient Parameterization Procedure and Cyclohexanol as Case Study

Hans Hasse, Jadran Vrabec, Thorsten Merker, 2012 .

Simultaneous description of bulk and interfacial properties of fluids by the Mie potential

Hans Hasse, Martin Horsch, Stephan Werth, 2016, 1611.07754.

A novel type of equipment for reactive distillation: Model development, simulation, sensitivity and error analysis

Hans Hasse, Erik von Harbou, Markus Schmitt, 2013 .

Pilot plant experiments for two new amine solvents for post-combustion carbon dioxide capture

Hans Hasse, Hari Prasad Mangalapally, H. Hasse, 2013 .

MolMod – an open access database of force fields for molecular simulations of fluids

Hans Hasse, Jadran Vrabec, Simon Stephan, 2019, Molecular Simulation.

Vapor–liquid equilibria of mixtures containing nitrogen, oxygen, carbon dioxide, and ethane

Hans Hasse, Jadran Vrabec, Jürgen Stoll, 2003 .

Automated development of force fields for the calculation of thermodynamic properties: acetonitrile as a case study

Hans Hasse, Jadran Vrabec, Stephan Deublein, 2013 .

Molecular models for 267 binary mixtures validated by vapor–liquid equilibria: A systematic approach

Hans Hasse, Jadran Vrabec, Yow-Lin Huang, 2009 .

Long-range correction for multi-site Lennard-Jones models and planar interfaces

Hans Hasse, Martin Horsch, Jadran Vrabec, 2014, 1507.07130.

Molecular Dynamics Based Analysis of Nucleation and Surface Energy of Droplets in Supersaturated Vapors of Methane and Ethane

Hans Hasse, Martin Horsch, Jadran Vrabec, 2008 .

Poiseuille flow of liquid methane in nanoscopic graphite channels by molecular dynamics simulation

Hans Hasse, Martin Horsch, Jadran Vrabec, 2009, 0911.5481.

Removal of carbon dioxide from flue gases with aqueous MEA solution containing ethanol

Hans Hasse, Georg Sieder, Ralf Notz, 2014 .

Molecular model for formic acid adjusted to vapor–liquid equilibria

Hans Hasse, Jadran Vrabec, Santiago Lago, 2007 .

Mastering the Reaction Is the Key to Successful Design of Heterogeneously Catalyzed Reactive Distillation: A Comprehensive Case Study of Hexyl Acetate Synthesis

Hans Hasse, Sergej Blagov, Markus Schmitt, 2008 .

Pilot plant study of four new solvents for post combustion carbon dioxide capture by reactive absorption and comparison to MEA

Hans Hasse, Norbert Asprion, Georg Sieder, 2012 .

Hydrogen bonding of ethanol in supercritical mixtures with CO2 by 1H NMR spectroscopy and molecular simulation

Hans Hasse, Martin Horsch, Steffen Reiser, 2012 .

Molecular model for carbon dioxide optimized to vapor-liquid equilibria.

Hans Hasse, Jadran Vrabec, Thorsten Merker, 2010, The Journal of chemical physics.

Modeling and simulation of reactive absorption of CO2 with MEA: Results for four different packings on two different scales

Hans Hasse, Michael Imle, H. Hasse, 2014 .

Prediction of self-diffusion coefficient and shear viscosity of water and its binary mixtures with methanol and ethanol by molecular simulation.

Hans Hasse, Jadran Vrabec, Gabriela Guevara-Carrion, 2011, The Journal of chemical physics.

Pilot plant experimental studies of post combustion CO2 capture by reactive absorption with MEA and new solvents

Hans Hasse, Norbert Asprion, Georg Sieder, 2009 .

Analysis of heterogeneous distillation processes

Hans Hasse, Sergej Blagov, O. Ryll, 2013 .

Stage-to-stage calculations of distillation columns by fixed-point iteration and application of the Banach fixed-point theorem

Michael Bortz, Jakob Burger, Hans Hasse, 2017 .

Parametrization of two-center Lennard-Jones plus point-quadrupole force field models by multicriteria optimization

Hans Hasse, Karl-Heinz Küfer, Martin Horsch, 2016 .