This image shows Joachim Groß

Joachim Groß

Prof. Dr.-Ing.

Head of Institute, Program Director Chemical Engineering
Institute of Thermodynamics and Thermal Process Engineering

Contact

+49 711 685 66105

Pfaffenwaldring 9
70569 Stuttgart
Deutschland
Room: 1.342

  1. 2024

    1. B. Bursik, R. Stierle, A. Schlaich, P. Rehner, J. Gross
      Viscosities of Inhomogeneous Systems from Generalized Entropy Scaling
      2024, Physics of Fluids 36(4), 042007
    2. R. Stierle, G. Bauer, N. Thiele, B. Bursik, P. Rehner, J. Gross
      Classical Density Functional Theory in Three Dimensions with GPU-Accelerated Automatic Differentiation: Computational Performance Analysis Using the Example of Adsorption in Covalent-Organic Frameworks
      2024, Chemical Engineering Science 298, 120380

  2. 2023

    1. L. Rueben, J. Schilling, P. Rehner, S. Müller, T. Esper, A. Bardow, J. Gross
      Predicting the Relative Static Permittivity: A Group Contribution Method Based on Perturbation Theory
      2023, Journal of Chemical & Engineering Data
    2. I. Nitzke, R. Stierle, S. Stephan, M. Pfitzner, J. Gross, J. Vrabec
      Phase Equilibria and Interface Properties of Hydrocarbon Propellant-Oxygen Mixtures in the Transcritical Regime
      2023, Physics of Fluids 35(3), 032117
    3. T. Esper, G. Bauer, P. Rehner, J. Gross
      PCP-SAFT Parameters of Pure Substances Using Large Experimental Databases
      2023, Industrial & Engineering Chemistry Research 62(37), 15300--15310
    4. R. Stierle, M. Fischer, T. Braun, J. Gross
      Investigating Learning and Improving Teaching in Engineering Thermodynamics Guided by Constructive Alignment and Competency Modeling: Part~I. Improving Our Learning Environment - How We Support Student Learning
      2023, Chemical Engineering Education 57(2), 101–112
    5. T. Braun, R. Stierle, M. Fischer, J. Gross
      Investigating Learning and Improving Teaching in Engineering Thermodynamics Guided by Constructive Alignment and Competency Modeling: Part II. Assessment and Exam Design
      2023, Chemical Engineering Education 57(3), 144–155
    6. M. Hammer, G. Bauer, R. Stierle, J. Gross, Ø. Wilhelmsen
      Classical Density Functional Theory for Interfacial Properties of Hydrogen, Helium, Deuterium, Neon, and Their Mixtures
      2023, The Journal of Chemical Physics
    7. C. Steinhausen, V. Gerber, R. Stierle, A. Preusche, A. Dreizler, J. Gross, … G. Lamanna
      Characterisation of the Transient Mixing Behaviour of Evaporating Near-Critical Droplets
      2023, Frontiers in Physics 11

  3. 2022

    1. P. Neumann, A. Das Sharma, L. Viot, T. Trummler, A. Doehring, M. Son, … N. Tippmann
      MaST: Scale-Bridging Exploration of Transcritical Fluid Systems
      dtec.bw-Beiträge der Helmut-Schmidt-Universität / Universität der Bundeswehr Hamburg: Forschungsaktivitäten im Zentrum für Digitalisierungs- und Technologieforschung der Bundeswehr

  4. 2021

    1. R. Stierle, J. Gross
      Hydrodynamic Density Functional Theory for Mixtures from a Variational Principle and Its Application to Droplet Coalescence
      2021, The Journal of Chemical Physics 155(13), 134101

  5. 2020

    1. R. Stierle, C. Waibel, J. Gross, C. Steinhausen, B. Weigand, G. Lamanna
      On the Selection of Boundary Conditions for Droplet Evaporation and Condensation at High Pressure and Temperature Conditions from Interfacial Transport Resistivities
      2020, International Journal of Heat and Mass Transfer 151, 119450
    2. M. Theiss, J. Gross
      Nonprimitive Model Electrolyte Solutions: Comprehensive Data from Monte Carlo Simulations
      2020, Journal of Chemical & Engineering Data
    3. A. Preusche, A. Dreizler, C. Steinhausen, G. Lamanna, R. Stierle
      Non-Invasive, Spatially Averaged Temperature Measurements of Falling Acetone Droplets in Nitrogen Atmosphere at Elevated Pressures and Temperatures
      2020, The Journal of Supercritical Fluids 166, 105025
    4. G. Lamanna, C. Steinhausen, F. Weckenmann, B. Weigand, B. Bork, A. Preusche, … J. Gross
      Laboratory Experiments of High-Pressure Fluid Drops
      High-Pressure Flows for Propulsion Applications
    5. R. Stierle, E. Sauer, J. Eller, M. Theiss, P. Rehner, P. Ackermann, J. Gross
      Guide to Efficient Solution of PC-SAFT Classical Density Functional Theory in Various Coordinate Systems Using Fast Fourier and Similar Transforms
      2020, Fluid Phase Equilibria 504, 112306
    6. R. Stierle, J. Gross
      A Fast Inverse Hankel Transform of First Order for Computing Vector-Valued Weight Functions Appearing in Fundamental Measure Theory in Cylindrical Coordinates
      2020, Fluid Phase Equilibria 511, 112500

  6. 2019

    1. J. Baz, N. Hansen, J. Gross
      Transferable Anisotropic Mie-Potential Force Field for n-Alcohols: Static and Dynamic Fluid Properties of Pure Substances and Binary Mixtures
      2019, Industrial & Engineering Chemistry Research 59(2), 919--929
    2. M. Hopp, J. Mele, R. Hellmann, J. Gross
      Thermal Conductivity via Entropy Scaling: An Approach That Captures the Effect of Intramolecular Degrees of Freedom
      2019, Industrial & Engineering Chemistry Research 58(39), 18432--18438
    3. M. Hopp, J. Gross
      Thermal Conductivity from Entropy Scaling: A Group-Contribution Method
      2019, Industrial & Engineering Chemistry Research 58(44), 20441--20449
    4. J. Gross, G. Sadowski
      Reply to Comment on “Perturbed-Chain SAFT: An Equation of State Based on a Perturbation Theory for Chain Molecules”
      2019, Industrial & Engineering Chemistry Research 58(14), 5744--5745
    5. E. Sauer, J. Gross
      Prediction of Adsorption Isotherms and Selectivities: Comparison between Classical Density Functional Theory Based on the Perturbed-Chain Statistical Associating Fluid Theory Equation of State and Ideal Adsorbed Solution Theory
      2019, Langmuir 35(36), 11690--11701
    6. C. Waibel, J. Gross
      Polarizable Transferable Anisotropic United-Atom Force Field Based on the Mie Potential for Phase Equilibria: Ethers, n-Alkanes, and Nitrogen
      2019, Journal of Chemical Theory and Computation 15(4), 2561--2573
    7. G. Bauer, J. Gross
      Phase Equilibria of Solid and Fluid Phases from Molecular Dynamics Simulations with Equilibrium and Nonequilibrium Free Energy Methods
      2019, Journal of Chemical Theory and Computation 15(6), 3778--3792
    8. D. Weidler, J. Gross
      Phase Equilibria of Binary Mixtures with Alkanes, Ketones, and Esters Based on the Transferable Anisotropic Mie Force Field
      2019, Fluid Phase Equilibria 490, 123--132
    9. W. Zmpitas, J. Gross
      Extension of Wertheim’s Thermodynamic Perturbation Theory to Include Higher Order Graph Integrals
      2019, J. Chem. Phys. 150(24), 244902--
    10. M. Hopp, J. Mele, J. Gross
      Erratum to “Self-Diffusion Coefficients from Entropy Scaling Using the PCP-SAFT Equation of State”
      2019, Industrial & Engineering Chemistry Research 58(45), 20857--20857
    11. C. Steinhausen, J. Reutsch, G. Lamanna, B. Weigand, R. Stierle, J. Gross, … A. Dreizler
      Droplet evaporation at high pressure and temperature conditions: A comparison of experimental estimations and direct numerical simulations
      Vortrag, Paris (F)
    12. M. Reitzle, S. Ruberto, R. Stierle, J. Gross, T. Janzen, B. Weigand
      Direct Numerical Simulation of Sublimating Ice Particles
      2019, International Journal of Thermal Sciences 145, 105953
    13. M. Theiss, J. Gross
      Dipolar Hard Spheres: Comprehensive Data from Monte Carlo Simulations
      2019, Journal of Chemical & Engineering Data 64(2), 827--832
    14. M. Theiss, T. van Westen, J. Gross
      An Equation of State for Stockmayer Fluids Based on a Perturbation Theory for Dipolar Hard Spheres
      2019, J. Chem. Phys. 151(10), 104102--

  7. 2018

    1. C. Waibel, R. Stierle, J. Gross
      Transferability of Cross-Interaction Pair Potentials: Vapor-Liquid Phase Equilibria of n-Alkane/Nitrogen Mixtures Using the TAMie Force Field
      2018, Fluid Phase Equilibria 456, 124–130
    2. P. Rehner, J. Gross
      Surface Tension of Droplets and Tolman Lengths of Real Substances and Mixtures from Density Functional Theory
      2018, J. Chem. Phys. 148(16), 164703--
    3. M. Hopp, J. Mele, J. Gross
      Self-Diffusion Coefficients from Entropy Scaling Using the PCP-SAFT Equation of State
      2018, Industrial & Engineering Chemistry Research 57(38), 12942--12950
    4. O. Lötgering-Lin, M. Fischer, M. Hopp, J. Gross
      Pure Substance and Mixture Viscosities Based on Entropy Scaling and an Analytic Equation of State
      2018, Industrial & Engineering Chemistry Research 57(11), 4095--4114
    5. P. Rehner, J. Gross
      Predictive Density Gradient Theory Based on Nonlocal Density Functional Theory
      2018, Physical Review E 98(6), 063312
    6. E. Sauer, A. Terzis, M. Theiss, B. Weigand, J. Gross
      Prediction of Contact Angles and Density Profiles of Sessile Droplets Using Classical Density Functional Theory Based on the PCP-SAFT Equation of State
      2018, Langmuir 34(42), 12519--12531
    7. G. Lamanna, C. Steinhausen, B. Weigand, A. Preusche, B. Bork, A. Dreizler, … J. Gross
      On the Importance of Non-Equilibrium Models for Describing the Coupling of Heat and Mass Transfer at High Pressure
      2018, International Communications in Heat and Mass Transfer 98, 49–58
    8. C. Waibel, J. Gross
      Modification of the Wolf Method and Evaluation for Molecular Simulation of Vapor–Liquid Equilibria
      2018, Journal of Chemical Theory and Computation 14(4), 2198--2206
    9. J. Mairhofer, J. Gross
      Modeling Properties of the One-Dimensional Vapor-Liquid Interface: Application of Classical Density Functional and Density Gradient Theory
      2018, Fluid Phase Equilibria 458, 243--252
    10. D. Weidler, J. Gross
      Individualized Force Fields for Alkanes, Olefins, Ethers and Ketones Based on the Transferable Anisotropic Mie Potential
      2018, Fluid Phase Equilibria 470, 101--108
    11. J. Mairhofer, J. Gross
      Identifying Pure-Component Parameters of an Analytic Equation of State Using Experimental Surface Tension or Molecular Simulations with a Transferable Force Field
      2018, Industrial & Engineering Chemistry Research 57(36), 12254--12263
    12. A. Terzis, E. Sauer, G. Yang, J. Gross, B. Weigand
      Characterisation of Acid-Base Surface Free Energy Components of Urea-Water Solutions
      2018, Colloids and Surfaces a-Physicochemical and Engineering Aspects 538, 774–780
    13. M. Jaber, W. Babe, E. Sauer, J. Gross, R. Lugo, J. C. de Hemptinne
      An Improved Group Contribution Method for PC-SAFT Applied to Branched Alkanes: Data Analysis and Parameterization
      2018, Fluid Phase Equilibria 473, 183–191
    14. M. Theiss, J. Gross
      A Third and Fourth Order Perturbation Theory for Dipolar Hard Spheres
      2018, J. Chem. Phys. 149(4), 044901--
    15. C. Waibel, M. S. Feinler, J. Gross
      A Modified Shifted Force Approach to the Wolf Summation
      2018, Journal of Chemical Theory and Computation 15(1), 572--583
    16. J. Mairhofer, B. Xiao, J. Gross
      A Classical Density Functional Theory for Vapor-Liquid Interfaces Consistent with the Heterosegmented Group-Contribution Perturbed-Chain Polar Statistical Associating Fluid Theory
      2018, Fluid Phase Equilibria 472, 117--127

  8. 2017

    1. G. Bauer, N. Gribova, A. Lange, C. Holm, J. Gross
      Three-Body Effects in Triplets of Capped Gold Nanocrystals
      2017, Molecular Physics 115(9–12), 1031–1040
    2. M. Hopp, J. Gross
      Thermal Conductivity of Real Substances from Excess Entropy Scaling Using PCP-SAFT
      2017, Industrial & Engineering Chemistry Research 56(15), 4527--4538
    3. J. Mairhofer, J. Gross
      Numerical Aspects of Classical Density Functional Theory for One-Dimensional Vapor-Liquid Interfaces
      2017, Fluid Phase Equilibria 444, 1--12
    4. J. Mairhofer, J. Gross
      Modeling of Interfacial Properties of Multicomponent Systems Using Density Gradient Theory and PCP-SAFT
      2017, Fluid Phase Equilibria 439, 31--42
    5. J. Schilling, D. Tillmanns, M. Lampe, M. Hopp, J. Gross, A. Bardow
      Integrating Working Fluid Design into the Thermo-Economic Design of ORC Processes Using PC-SAFT
      2017, Energy Procedia 129, 121--128
    6. J. Schilling, M. Lampe, D. Tillmanns, M. Hopp, J. Gross, A. Bardow
      Integrated thermo-economic design of ORC process, working fluid and equipment using PC-SAFT
      2017
    7. J. Schilling, J. Gross, A. Bardow
      Integrated Design of ORC Process and Working Fluid Using Process Flowsheeting Software and PC-SAFT
      2017, Energy Procedia 129, 129--136
    8. A. Terzis, E. Roumeli, K. Weishaupt, S. Brack, H. Aslannejad, J. Groß, … B. Weigand
      Heat Release at the Wetting Front during Capillary Filling of Cellulosic Micro-Substrates
      2017, JOURNAL OF COLLOID AND INTERFACE SCIENCE 504, 751–757
    9. J. Schilling, D. Tillmanns, M. Lampe, M. Hopp, J. Gross, A. Bardow
      From Molecules to Dollars: Integrating Molecular Design into Thermo-Economic Process Design Using Consistent Thermodynamic Modeling
      2017, Mol. Syst. Des. Eng. 2(3), 301–320
    10. C. Steinhausen, G. Lamanna, B. Weigand, R. Stierle, J. Gross, A. Preusche, A. Dreizler
      Experimental Investigation of Droplet Injections in the Vicinity of the Critical Point: A comparison of different model approaches
    11. E. Sauer, J. Gross
      Classical Density Functional Theory for Liquid–Fluid Interfaces and Confined Systems: A Functional for the Perturbed-Chain Polar Statistical Associating Fluid Theory Equation of State
      2017, Industrial & Engineering Chemistry Research 56(14), 4119--4135
    12. T. van Westen, J. Groß
      A Critical Evaluation of Perturbation Theories by Monte Carlo Simulation of the First Four Perturbation Terms in a Helmholtz Energy Expansion for the Lennard-Jones Fluid
      2017, JOURNAL OF CHEMICAL PHYSICS 147(1)
    13. J. Schilling, M. Lampe, J. Gross, A. Bardow
      1-Stage CoMT-CAMD: An Approach for Integrated Design of ORC Process and Working Fluid Using PC-SAFT
      2017, Chemical Engineering Science 159, 217--230

  9. 2016

    1. D. Weidler, J. Gross
      Transferable Anisotropic United-Atom Force Field Based on the Mie Potential for Phase Equilibria: Aldehydes, Ketones, and Small Cyclic Alkanes
      2016, Industrial & Engineering Chemistry Research 55(46), 12123–12132
    2. F. Drunsel, J. Groß
      Theory of Model Electrolyte Solutions: Assessing the Short- and    Long-Ranged Contributions by Molecular Simulations
      2016, FLUID PHASE EQUILIBRIA 430, 195–206
    3. J. Schilling, M. Lampe, J. Gross, A. Bardow
      One-stage approach for the integrated design of ORC processes and working fluid using PC-SAFT
      Computer Aided Chemical Engineering
    4. T. van Westen, T. J. H. Vlugt, J. Gross
      On the Vapor-Liquid Equilibrium of Attractive Chain Fluids with Variable Degree of Molecular Flexibility (Vol 142, 224504, 2015)
      2016, Journal of Chemical Physics 145(23)
    5. S. Kjelstrup, D. Bedeaux, E. Johannessen, J. Gross
      Non-Equilibrium Thermodynamics for Engineers
      2016, WORLD SCIENTIFIC
    6. M. Stavrou, A. Bardow, J. Gross
      Estimation of the Binary Interaction Parameter k(Ij) of the PC-SAFT Equation of State Based on Pure Component Parameters Using a QSPR Method
      2016, Fluid Phase Equilibria 416, 138–149
    7. W. Zmpitas, J. Groß
      Detailed Pedagogical Review and Analysis of Wertheim’s Thermodynamic  Perturbation Theory
      2016, FLUID PHASE EQUILIBRIA 428(SI), 121–152
    8. F. Drunsel, J. Gross
      Chemical Potential of Model Electrolyte Solutions Consisting of Hard Sphere Ions and Hard Dipoles from Molecular Simulations
      2016, Fluid Phase Equilibria 429, 205–213
    9. O. Loetgering-Lin, A. Schoeniger, W. Nowak, J. Gross
      Bayesian Model Selection Helps To Choose Objectively between Thermodynamic Models: A Demonstration of Selecting a Viscosity Model Based on Entropy Scaling
      2016, Industrial & Engineering Chemistry Research 55(38), 10191–10207
    10. W. Zmpitas, J. Groß
      A New Equation of State for Linear Hard Chains: Analysis of a    Third-Order Expansion of Wertheim’s Thermodynamic Perturbation Theory
      2016, FLUID PHASE EQUILIBRIA 416(SI), 18–26

  10. 2015

    1. A. Hemmen, J. Gross
      Transferable Anisotropic United-Atom Force Field Based on the Mie Potential for Phase Equilibrium Calculations: N-Alkanes and n-Olefins
      2015, Journal of Physical Chemistry B 119(35), 11695–11707
    2. T. van Westen, T. J. H. Vlugt, J. Gross
      On the Vapor-Liquid Equilibrium of Attractive Chain Fluids with Variable Degree of Molecular Flexibility
      2015, Journal of Chemical Physics 142(22)
    3. O. Loetgering-Lin, J. Gross
      Group Contribution Method for Viscosities Based on Entropy Scaling Using the Perturbed-Chain Polar Statistical Associating Fluid Theory
      2015, Industrial & Engineering Chemistry Research 54(32), 7942–7952
    4. A. Hemmen, A. Z. Panagiotopoulos, J. Gross
      Grand Canonical Monte Carlo Simulations Guided by an Analytic Equation of State-Transferable Anisotropic Mie Potentials for Ethers
      2015, Journal of Physical Chemistry B 119(23), 7087–7099
    5. G. Bauer, A. Lange, N. Gribova, C. Holm, J. Groß
      Effective Potentials between Gold Nano Crystals–Functional Dependence on Temperature
      2015, Molecular Simulation 41(14)
    6. A. Lange, F. Danecker, G. Bauer, N. Gribova, J. Groß
      Different Ways of Looking at the Force between Two Nanocrystals
      2015, The Journal of Chemical Physics 143(24)
    7. C. Klink, B. Plankova, J. Gross
      Density Functional Theory for Liquid-Liquid Interfaces of Mixtures Using the Perturbed-Chain Polar Statistical Associating Fluid Theory Equation of State
      2015, Industrial & Engineering Chemistry Research 54(16), 4633–4642
    8. M. Lampe, M. Stavrou, J. Schilling, E. Sauer, J. Gross, A. Bardow
      Computer-Aided Molecular Design in the Continuous-Molecular Targeting Framework Using Group-Contribution PC-SAFT
      2015, Computers & Chemical Engineering 81, 278–287
    9. C. Klink, C. Waibel, J. Gross
      Analysis of Interfacial Transport Resistivities of Pure Components and    Mixtures Based on Density Functional Theory
      2015, INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH 54(45), 11483–11492
    10. T. van Westen, B. Oyarzun, T. J. H. Vlugt, J. Gross
      An Analytical Equation of State for Describing Isotropic-Nematic Phase Equilibria of Lennard-Jones Chain Fluids with Variable Degree of Molecular Flexibility
      2015, Journal of Chemical Physics 142(24)

  11. 2014

    1. T. van Westen, T. J. H. Vlugt, J. Gross
      The Isotropic-Nematic and Nematic-Nematic Phase Transition of Binary Mixtures of Tangent Hard-Sphere Chain Fluids: An Analytical Equation of State
      2014, Journal of Chemical Physics 140(3)
    2. M. Lampe, M. Stavrou, H. M. Buecker, J. Gross, A. Bardow
      Simultaneous Optimization of Working Fluid and Process for Organic Rankine Cycles Using PC-SAFT
      2014, Industrial & Engineering Chemistry Research 53(21), 8821–8830
    3. M. Stavrou, M. Lampe, A. Bardow, J. Gross
      Physically-based Thermodynamic Models in Integrated Process and Molecular Design
      24th European Symposium on Computer Aided Process Engineering, Pts a and B
    4. M. Stavrou, M. Lampe, A. Bardow, J. Gross
      Continuous Molecular Targeting-Computer-Aided Molecular Design (CoMT-CAMD) for Simultaneous Process and Solvent Design for CO2 Capture
      2014, Industrial & Engineering Chemistry Research 53(46), 18029–18041
    5. M. Lampe, C. Kirmse, E. Sauer, M. Stavrou, J. Gross, A. Bardow
      Computer-aided Molecular Design of ORC Working Fluids using PC-SAFT
      Proceedings of the 8th International Conference on Foundations of Computer-Aided Process Design
    6. E. Sauer, M. Stavrou, J. Gross
      Comparison between a Homo- and a Heterosegmented Group Contribution Approach Based on the Perturbed-Chain Polar Statistical Associating Fluid Theory Equation of State
      2014, Industrial & Engineering Chemistry Research 53(38), 14854–14864
    7. K. S. Schmid, J. Gross, R. Helmig
      Chemical Osmosis in Two-Phase Flow and Salinity-Dependent Capillary Pressures in Rocks with Microporosity
      2014, Water Resources Research 50(2), 763–789
    8. T. van Westen, B. Oyarzun, T. J. H. Vlugt, J. Gross
      An Equation of State for the Isotropic Phase of Linear, Partially Flexible and Fully Flexible Tangent Hard-Sphere Chain Fluids
      2014, Molecular Physics 112(7), 919–928
    9. F. Drunsel, W. Zmpitas, J. Gross
      A New Perturbation Theory for Electrolyte Solutions
      2014, Journal of Chemical Physics 141(5)
    10. C. Klink, J. Gross
      A Density Functional Theory for Vapor-Liquid Interfaces of Mixtures Using the Perturbed-Chain Polar Statistical Associating Fluid Theory Equation of State
      2014, Industrial & Engineering Chemistry Research 53(14), 6169–6178

  12. 2013

    1. T. van Westen, B. Oyarzun, T. J. H. Vlugt, J. Gross
      The Isotropic-Nematic Phase Transition of Tangent Hard-Sphere Chain Fluids-Pure Components
      2013, Journal of Chemical Physics 139(3)
    2. J. M. C. Sanchez, T. Danner, J. Gross
      Grand Canonical Monte Carlo Simulations of Vapor-Liquid Equilibria Using a Bias Potential from an Analytic Equation of State
      2013, Journal of Chemical Physics 138(23)

  13. 2012

    1. M. Lampe, J. Gross, A. Bardow
      Simultaneous process and working fluid optimisation for Organic Rankine Cycles (ORC) using PC-SAFT
      22 European Symposium on Computer Aided Process Engineering
    2. S. Korden, N. V. Nhu, J. Vrabec, J. Gross, K. Leonhard
      On the Treatment of Electrostatic Interactions of Non-Spherical Molecules in Equation of State Models
      2012, Soft Materials 10(1–3), 81–105
    3. T. van Westen, T. J. H. Vlugt, J. Gross
      An Analytical Approximation for the Orientation-Dependent Excluded Volume of Tangent Hard Sphere Chains of Arbitrary Chain Length and Flexibility
      2012, Journal of Chemical Physics 137(4)
    4. C. Braun, S. Holst, H.-J. Wunderlich, J. M. Castillo-Sanchez, J. Gross
      Acceleration of Monte-Carlo molecular simulations on hybrid computing architectures.

  14. 2011

    1. C. S. Schacht, T. J. H. Vlugt, J. Gross
      Using an Analytic Equation of State to Obtain Quantitative Solubilities of CO2 by Molecular Simulation
      2011, Journal of Physical Chemistry Letters 2(5), 393–396
    2. L. V. van der Ham, J. Gross, S. Kjelstrup
      Two Performance Indicators for the Characterization of the Entropy Production in a Process Unit
      2011, Energy 36(6), 3727–3732
    3. C. S. y Schacht, C. Schuell, H. Frey, T. W. de Loos, J. Gross
      Phase Behavior of the System Linear Polyglycerol plus Methanol plus Carbon Dioxide
      2011, Journal of Chemical and Engineering Data 56(6), 2927–2931
    4. B. Oyarzún, A. Bardow, J. Gross
      Integration of Process and Solvent Design towards a Novel Generation of CO2 Absorption Capture Systems
      2011, Energy Procedia 4, 282--290
    5. K. Damen, R. Gnutek, J. Kaptein, N. R. Nannan, B. Oyarzun, C. Trapp, … A. Bardow
      Developments in the Pre-Combustion CO2 Capture Pilot Plant at the Buggenum IGCC
      2011, Energy Procedia 4, 1214--1221
    6. T. van Westen, T. J. H. Vlugt, J. Gross
      Determining Force Field Parameters Using a Physically Based Equation of State
      2011, Journal of Physical Chemistry B 115(24), 7872–7880

  15. 2010

    1. X. Tang, J. Gross
      Renormalization-Group Corrections to the Perturbed-Chain Statistical Associating Fluid Theory for Binary Mixtures
      2010, Industrial & Engineering Chemistry Research 49(19), 9436–9444
    2. C. S. Schacht, S. Bahrarnali, D. Wilms, H. Frey, J. Gross, T. W. de Loos
      Phase Behavior of the System Hyperbranched Polyglycerol plus Methanol plus Carbon Dioxide
      2010, Fluid Phase Equilibria 299(2), 252–258
    3. S. Kjelstrup, D. Bedeaux, E. Johannessen, J. Gross
      Non-Equilibrium Thermodynamics for Engineers
      2010, WORLD SCIENTIFIC
    4. X. Tang, J. Gross
      Modeling the Phase Equilibria of Hydrogen Sulfide and Carbon Dioxide in Mixture with Hydrocarbons and Water Using the PCP-SAFT Equation of State
      2010, Fluid Phase Equilibria 293(1), 11–21
    5. S. Herzog, J. Gross, W. Arlt
      Equation of State for Aqueous Electrolyte Systems Based on the Semirestricted Non-Primitive Mean Spherical Approximation
      2010, Fluid Phase Equilibria 297(1), 23–33
    6. X. Tang, J. Gross
      Density Functional Theory for Calculating Surface Tensions with a Simple Renormalization Formalism for the Critical Point
      2010, Journal of Supercritical Fluids 55(2), 735–742
    7. A. Bardow, K. Steur, J. Gross
      Continuous-Molecular Targeting for Integrated Solvent and Process Design
      2010, Industrial & Engineering Chemistry Research 49(6), 2834–2840
    8. C. S. Schacht, L. Zubeir, T. W. de Loos, J. Gross
      Application of Infinite Dilution Activity Coefficients for Determining Binary Equation of State Parameters
      2010, Industrial & Engineering Chemistry Research 49(16), 7646–7653

  16. 2009

    1. J. Kuhn, J. Gross, F. Kapteijn
      Tuning the Framework Polarity in MFI Membranes by Deboronation: Effect on Mass Transport
      2009, Microporous and Mesoporous Materials 125(1–2), 39–45
    2. M. K. Kozlowska, B. F. Jurgens, C. S. Schacht, J. Gross, T. W. de Loos
      Phase Behavior of Hyperbranched Polymer Systems: Experiments and Application of the Perturbed-Chain Polar SAFT Equation of State
      2009, Journal of Physical Chemistry B 113(4), 1022–1029
    3. J. Kuhn, S. Sutanto, J. Gascon, J. Gross, F. Kapteijn
      Performance and Stability of Multi-Channel MFI Zeolite Membranes Detemplated by Calcination and Ozonication in Ethanol/Water Pervaporation
      2009, Journal of Membrane Science 339(1–2), 261–274
    4. X. Tang, R. Spoek, J. Gross
      Modeling the Phase Equilibria of CO2 and H2S in Aqueous Electrolyte Systems at Elevated Pressure
      2009, Energy Procedia 1(1), 1807--1814
    5. L. V. van der Ham, J. Gross, A. Verkooijen, S. Kjelstrup
      Efficient Conversion of Thermal Energy into Hydrogen: Comparing Two Methods to Reduce Exergy Losses in a Sulfuric Acid Decomposition Reactor
      2009, Industrial & Engineering Chemistry Research 48(18), 8500–8507
    6. J. Kuhn, J. Gascon, J. Gross, F. Kapteijn
      Detemplation of DDR Type Zeolites by Ozonication
      2009, Microporous and Mesoporous Materials 120(1–2), 12–18
    7. J. Kuhn, M. Motegh, J. Gross, F. Kapteijn
      Detemplation of BMFI Zeolite Crystals by Ozonication
      2009, Microporous and Mesoporous Materials 120(1–2), 35–38
    8. J. Kuhn, J. M. Castillo-Sanchez, J. Gascon, S. Calero, D. Dubbeldam, T. J. H. Vlugt, … J. Gross
      Adsorption and Diffusion of Water, Methanol, and Ethanol in All-Silica DD3R: Experiments and Simulation
      2009, Journal of Physical Chemistry C 113(32), 14290–14301
    9. J. Kuhn, R. Stemmer, F. Kapteijn, S. Kjelstrup, J. Gross
      A Non-Equilibrium Thermodynamics Approach to Model Mass and Heat Transport for Water Pervaporation through a Zeolite Membrane
      2009, Journal of Membrane Science 330(1–2), 388–398
    10. J. Gross
      A Density Functional Theory for Vapor-Liquid Interfaces Using the PCP-SAFT Equation of State
      2009, Journal of Chemical Physics 131(20)
    11. A. Bardow, K. Steur, J. Gross
      A Continuous Targeting Approach for Integrated Solvent and Process Design Based on Molecular Thermodynamic Models
      2009, 10th International Symposium on Process Systems Engineering 27, 813–818

  17. 2008

    1. J. Vrabec, J. Gross
      Vapor-Liquid Equilibria Simulation and an Equation of State Contribution for Dipole-Quadrupole Interactions
      2008, Journal of Physical Chemistry B 112(1), 51–60
    2. E. Johannessen, J. Gross, D. Bedeaux
      Nonequilibrium Thermodynamics of Interfaces Using Classical Density Functional Theory
      2008, Journal of Chemical Physics 129(18)
    3. J. Kuhn, K. Yajima, T. Tomita, J. Gross, F. Kapteijn
      Dehydration Performance of a Hydrophobic DD3R Zeolite Membrane
      2008, Journal of Membrane Science 321(2), 344–349

  18. 2007

    1. F. de Bruijn, J. Gross, Z. Olujic, P. Jansens, F. Kapteijn
      On the Driving Force of Methanol Pervaporation through a Microporous Methylated Silica Membrane
      2007, Industrial & Engineering Chemistry Research 46(12), 4091–4099
    2. J. Kuhn, J. Gross, J. C. Jansen, F. Kapteijn, P. J. Jansens
      Investigating mass transport in zeolite pores by tuning the framework polarity
      From Zeolites To Porous Mof Materials: the 40th Anniversary of International Zeolite Conference, Proceedings of the 15th International Zeolite Conference
    3. A. Selvi, B. Breure, J. Gross, J. de Graauw, P. J. Jansens
      Basic Parameter Study for the Separation of a Isopropanol-Water Mixture by Using FricDiff Technology
      2007, Chemical Engineering and Processing 46(9), 810–817

  19. 2006

    1. J. Gross, J. Vrabec
      An Equation-of-State Contribution for Polar Components: Dipolar Molecules
      2006, Aiche Journal 52(3), 1194–1204
    2. M. Kleiner, J. Gross
      An Equation of State Contribution for Polar Components: Polarizable Dipoles
      2006, Aiche Journal 52(5), 1951–1961

  20. 2005

    1. F. Tumakaka, J. Gross, G. Sadowski
      Thermodynamic Modeling of Complex Systems Using PC-SAFT
      2005, Fluid Phase Equilibria 228, 89–98
    2. J. Gross
      An Equation-of-State Contribution for Polar Components: Quadrupolar Molecules
      2005, Aiche Journal 51(9), 2556–2568

  21. 2004

    1. O. Spuhl, S. Herzog, J. Gross, I. Smirnova, W. Arlt
      Reactive Phase Equilibria in Silica Aerogel Synthesis: Experimental Study and Prediction of the Complex Phase Behavior Using the PC-SAFT Equation of State
      2004, Industrial & Engineering Chemistry Research 43(15), 4457–4464
    2. J. Gross, G. Sadowski
      Perturbed-Chain-SAFT: development of a new equation of state for simple, associating, multipolar and polymeric compounds
      Supercritical fluids as solvents and reaction media

  22. 2003

    1. J. Gross, O. Spuhl, F. Tumakaka, G. Sadowski
      Modeling Copolymer Systems Using the Perturbed-Chain SAFT Equation of State
      2003, Industrial & Engineering Chemistry Research 42(6), 1266–1274

  23. 2002

    1. J. Gross, G. Sadowski
      Modeling Polymer Systems Using the Perturbed-Chain Statistical Associating Fluid Theory Equation of State
      2002, Industrial & Engineering Chemistry Research 41(5), 1084–1093
    2. F. Tumakaka, J. Gross, G. Sadowski
      Modeling of Polymer Phase Equilibria Using Perturbed-Chain SAFT
      2002, Fluid Phase Equilibria 194, 541–551
    3. J. Gross, G. Sadowski
      Application of the Perturbed-Chain SAFT Equation of State to Associating Systems
      2002, Industrial & Engineering Chemistry Research 41(22), 5510–5515

  24. 2001

    1. J. Gross, G. Sadowski
      Perturbed-Chain SAFT: An Equation of State Based on a Perturbation Theory for Chain Molecules
      2001, Industrial & Engineering Chemistry Research 40(4), 1244–1260
    2. M. Seiler, J. Gross, B. Bungert, G. Sadowski, W. Arlt
      Modeling of Solid/Fluid Phase Equilibria in Multicomponent Systems at High Pressure
      2001, Chemical Engineering & Technology 24(6), 607–612

  25. 2000

    1. M. Seiler, J. Gross, B. Bungert, G. Sadowski, W. Arlt
      Calculation of Solid/Fluid Equilibria at Elevated Pressures
      2000, Chemie Ingenieur Technik 72(7), 722–727
    2. J. Gross, G. Sadowski
      Application of Perturbation Theory to a Hard-Chain Reference Fluid: An Equation of State for Square-Well Chains
      2000, Fluid Phase Equilibria 168(2), 183–199
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