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Pfaffenwaldring 9
70569 Stuttgart
Deutschland
Room: 1.342
2024
- B. Bursik, R. Stierle, A. Schlaich, P. Rehner, J. GrossViscosities of Inhomogeneous Systems from Generalized Entropy Scaling2024, Physics of Fluids 36, 42007
- R. Stierle, G. Bauer, N. Thiele, B. Bursik, P. Rehner, J. GrossClassical Density Functional Theory in Three Dimensions with GPU-Accelerated Automatic Differentiation: Computational Performance Analysis Using the Example of Adsorption in Covalent-Organic Frameworks2024, Chemical Engineering Science 298, 120380
2023
- L. Rueben, J. Schilling, P. Rehner, S. Müller, T. Esper, A. Bardow, J. GrossPredicting the Relative Static Permittivity: A Group Contribution Method Based on Perturbation Theory2023, Journal of Chemical & Engineering Data
- I. Nitzke, R. Stierle, S. Stephan, M. Pfitzner, J. Gross, J. VrabecPhase Equilibria and Interface Properties of Hydrocarbon Propellant-Oxygen Mixtures in the Transcritical Regime2023, Physics of Fluids 35, 32117
- T. Esper, G. Bauer, P. Rehner, J. GrossPCP-SAFT Parameters of Pure Substances Using Large Experimental Databases2023, Industrial & Engineering Chemistry Research 62, 15300–15310
- R. Stierle, M. Fischer, T. Braun, J. GrossInvestigating Learning and Improving Teaching in Engineering Thermodynamics Guided by Constructive Alignment and Competency Modeling: Part~I. Improving Our Learning Environment - How We Support Student Learning2023, Chemical Engineering Education 57, 101–112
- T. Braun, R. Stierle, M. Fischer, J. GrossInvestigating Learning and Improving Teaching in Engineering Thermodynamics Guided by Constructive Alignment and Competency Modeling: Part II. Assessment and Exam Design2023, Chemical Engineering Education 57, 144–155
- M. Hammer, G. Bauer, R. Stierle, J. Gross, Ø. WilhelmsenClassical Density Functional Theory for Interfacial Properties of Hydrogen, Helium, Deuterium, Neon, and Their Mixtures2023, The Journal of Chemical Physics 158, 104107
- C. Steinhausen, V. Gerber, R. Stierle, A. Preusche, A. Dreizler, J. Gross, et al.Characterisation of the Transient Mixing Behaviour of Evaporating Near-Critical Droplets2023, Frontiers in Physics 11
2022
- P. Neumann, A. Das Sharma, L. Viot, T. Trummler, A. Doehring, M. Son, et al.MaST: Scale-Bridging Exploration of Transcritical Fluid Systemsdtec.bw-Beiträge der Helmut-Schmidt-Universität / Universität der Bundeswehr Hamburg: Forschungsaktivitäten im Zentrum für Digitalisierungs- und Technologieforschung der Bundeswehr
2021
- R. Stierle, J. GrossHydrodynamic Density Functional Theory for Mixtures from a Variational Principle and Its Application to Droplet Coalescence2021, The Journal of Chemical Physics 155, 134101
2020
- R. Stierle, C. Waibel, J. Gross, C. Steinhausen, B. Weigand, G. LamannaOn the Selection of Boundary Conditions for Droplet Evaporation and Condensation at High Pressure and Temperature Conditions from Interfacial Transport Resistivities2020, International Journal of Heat and Mass Transfer 151, 119450
- M. Theiss, J. GrossNonprimitive Model Electrolyte Solutions: Comprehensive Data from Monte Carlo Simulations2020, Journal of Chemical & Engineering Data
- A. Preusche, A. Dreizler, C. Steinhausen, G. Lamanna, R. StierleNon-Invasive, Spatially Averaged Temperature Measurements of Falling Acetone Droplets in Nitrogen Atmosphere at Elevated Pressures and Temperatures2020, The Journal of Supercritical Fluids 166, 105025
- G. Lamanna, C. Steinhausen, F. Weckenmann, B. Weigand, B. Bork, A. Preusche, et al.Laboratory Experiments of High-Pressure Fluid DropsHigh-Pressure Flows for Propulsion Applications
- R. Stierle, E. Sauer, J. Eller, M. Theiss, P. Rehner, P. Ackermann, J. GrossGuide to Efficient Solution of PC-SAFT Classical Density Functional Theory in Various Coordinate Systems Using Fast Fourier and Similar Transforms2020, Fluid Phase Equilibria 504, 112306
- R. Stierle, J. GrossA Fast Inverse Hankel Transform of First Order for Computing Vector-Valued Weight Functions Appearing in Fundamental Measure Theory in Cylindrical Coordinates2020, Fluid Phase Equilibria 511, 112500
2019
- J. Baz, N. Hansen, J. GrossTransferable Anisotropic Mie-Potential Force Field for N-Alcohols: Static and Dynamic Fluid Properties of Pure Substances and Binary Mixtures2019, Industrial & Engineering Chemistry Research 59, 919–929
- M. Hopp, J. Mele, R. Hellmann, J. GrossThermal Conductivity via Entropy Scaling: An Approach That Captures the Effect of Intramolecular Degrees of Freedom2019, Industrial & Engineering Chemistry Research 58, 18432–18438
- M. Hopp, J. GrossThermal Conductivity from Entropy Scaling: A Group-Contribution Method2019, Industrial & Engineering Chemistry Research 58, 20441–20449
- J. Gross, G. SadowskiReply to Comment on “Perturbed-Chain SAFT: An Equation of State Based on a Perturbation Theory for Chain Molecules”2019, Industrial & Engineering Chemistry Research 58, 5744–5745
- E. Sauer, J. GrossPrediction 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 Theory2019, Langmuir 35, 11690–11701
- C. Waibel, J. GrossPolarizable Transferable Anisotropic United-Atom Force Field Based on the Mie Potential for Phase Equilibria: Ethers, N-Alkanes, and Nitrogen2019, Journal of Chemical Theory and Computation 15, 2561–2573
- G. Bauer, J. GrossPhase Equilibria of Solid and Fluid Phases from Molecular Dynamics Simulations with Equilibrium and Nonequilibrium Free Energy Methods2019, Journal of Chemical Theory and Computation 15, 3778–3792
- D. Weidler, J. GrossPhase Equilibria of Binary Mixtures with Alkanes, Ketones, and Esters Based on the Transferable Anisotropic Mie Force Field2019, Fluid Phase Equilibria 490, 123–132
- W. Zmpitas, J. GrossExtension of Wertheim’s Thermodynamic Perturbation Theory to Include Higher Order Graph Integrals2019, J. Chem. Phys. 150, 244902––
- M. Hopp, J. Mele, J. GrossErratum to “Self-Diffusion Coefficients from Entropy Scaling Using the PCP-SAFT Equation of State”2019, Industrial & Engineering Chemistry Research 58, 20857
- C. Steinhausen, J. Reutsch, G. Lamanna, B. Weigand, R. Stierle, J. Gross, et al.Droplet evaporation at high pressure and temperature conditions: A comparison of experimental estimations and direct numerical simulationsVortrag, Paris (F)
- M. Reitzle, S. Ruberto, R. Stierle, J. Gross, T. Janzen, B. WeigandDirect Numerical Simulation of Sublimating Ice Particles2019, International Journal of Thermal Sciences 145, 105953
- M. Theiss, J. GrossDipolar Hard Spheres: Comprehensive Data from Monte Carlo Simulations2019, Journal of Chemical & Engineering Data 64, 827–832
- M. Theiss, T. van Westen, J. GrossAn Equation of State for Stockmayer Fluids Based on a Perturbation Theory for Dipolar Hard Spheres2019, J. Chem. Phys. 151, 104102––
2018
- C. Waibel, R. Stierle, J. GrossTransferability of cross-interaction pair potentials: Vapor-liquid phase equilibria of n-alkane/nitrogen mixtures using the TAMie force field2018, Fluid Phase Equilibria 456, 124–130
- P. Rehner, J. GrossSurface Tension of Droplets and Tolman Lengths of Real Substances and Mixtures from Density Functional Theory2018, J. Chem. Phys. 148, 164703––
- M. Hopp, J. Mele, J. GrossSelf-Diffusion Coefficients from Entropy Scaling Using the PCP-SAFT Equation of State2018, Industrial & Engineering Chemistry Research 57, 12942–12950
- O. Lötgering-Lin, M. Fischer, M. Hopp, J. GrossPure Substance and Mixture Viscosities Based on Entropy Scaling and an Analytic Equation of State2018, Industrial & Engineering Chemistry Research 57, 4095–4114
- P. Rehner, J. GrossPredictive Density Gradient Theory Based on Nonlocal Density Functional Theory2018, Physical Review E 98, 63312
- E. Sauer, A. Terzis, M. Theiss, B. Weigand, J. GrossPrediction of Contact Angles and Density Profiles of Sessile Droplets Using Classical Density Functional Theory Based on the PCP-SAFT Equation of State2018, Langmuir 34, 12519–12531
- G. Lamanna, C. Steinhausen, B. Weigand, A. Preusche, B. Bork, A. Dreizler, et al.On the Importance of Non-Equilibrium Models for Describing the Coupling of Heat and Mass Transfer at High Pressure2018, International Communications in Heat and Mass Transfer 98, 49–58
- C. Waibel, J. GrossModification of the Wolf Method and Evaluation for Molecular Simulation of Vapor–Liquid Equilibria2018, Journal of Chemical Theory and Computation 14, 2198–2206
- J. Mairhofer, J. GrossModeling Properties of the One-Dimensional Vapor-Liquid Interface: Application of Classical Density Functional and Density Gradient Theory2018, Fluid Phase Equilibria 458, 243–252
- D. Weidler, J. GrossIndividualized Force Fields for Alkanes, Olefins, Ethers and Ketones Based on the Transferable Anisotropic Mie Potential2018, Fluid Phase Equilibria 470, 101–108
- J. Mairhofer, J. GrossIdentifying Pure-Component Parameters of an Analytic Equation of State Using Experimental Surface Tension or Molecular Simulations with a Transferable Force Field2018, Industrial & Engineering Chemistry Research 57, 12254–12263
- A. Terzis, E. Sauer, G. Yang, J. Gross, B. WeigandCharacterisation of Acid-Base Surface Free Energy Components of Urea-Water Solutions2018, Colloids and Surfaces a-Physicochemical and Engineering Aspects 538, 774–780
- M. Jaber, W. Babe, E. Sauer, J. Gross, R. Lugo, J. C. de HemptinneAn Improved Group Contribution Method for PC-SAFT Applied to Branched Alkanes: Data Analysis and Parameterization2018, Fluid Phase Equilibria 473, 183–191
- M. Theiss, J. GrossA Third and Fourth Order Perturbation Theory for Dipolar Hard Spheres2018, J. Chem. Phys. 149, 044901––
- C. Waibel, M. S. Feinler, J. GrossA Modified Shifted Force Approach to the Wolf Summation2018, Journal of Chemical Theory and Computation 15, 572–583
- J. Mairhofer, B. Xiao, J. GrossA Classical Density Functional Theory for Vapor-Liquid Interfaces Consistent with the Heterosegmented Group-Contribution Perturbed-Chain Polar Statistical Associating Fluid Theory2018, Fluid Phase Equilibria 472, 117–127
2017
- G. Bauer, N. Gribova, A. Lange, C. Holm, J. GrossThree-Body Effects in Triplets of Capped Gold Nanocrystals2017, Molecular Physics 115, 1031–1040
- M. Hopp, J. GrossThermal Conductivity of Real Substances from Excess Entropy Scaling Using PCP-SAFT2017, Industrial & Engineering Chemistry Research 56, 4527–4538
- J. Mairhofer, J. GrossNumerical Aspects of Classical Density Functional Theory for One-Dimensional Vapor-Liquid Interfaces2017, Fluid Phase Equilibria 444, 1–12
- J. Mairhofer, J. GrossModeling of Interfacial Properties of Multicomponent Systems Using Density Gradient Theory and PCP-SAFT2017, Fluid Phase Equilibria 439, 31–42
- J. Schilling, D. Tillmanns, M. Lampe, M. Hopp, J. Gross, A. BardowIntegrating Working Fluid Design into the Thermo-Economic Design of ORC Processes Using PC-SAFT2017, Energy Procedia 129, 121–128
- J. Schilling, M. Lampe, D. Tillmanns, M. Hopp, J. Gross, A. BardowIntegrated thermo-economic design of ORC process, working fluid and equipment using PC-SAFT2017
- J. Schilling, J. Gross, A. BardowIntegrated Design of ORC Process and Working Fluid Using Process Flowsheeting Software and PC-SAFT2017, Energy Procedia 129, 129–136
- A. Terzis, E. Roumeli, K. Weishaupt, S. Brack, H. Aslannejad, J. Groß, et al.Heat release at the wetting front during capillary filling of cellulosic micro-substrates2017, JOURNAL OF COLLOID AND INTERFACE SCIENCE 504, 751–757
- J. Schilling, D. Tillmanns, M. Lampe, M. Hopp, J. Gross, A. BardowFrom Molecules to Dollars: Integrating Molecular Design into Thermo-Economic Process Design Using Consistent Thermodynamic Modeling2017, Mol. Syst. Des. Eng. 2, 301–320
- C. Steinhausen, G. Lamanna, B. Weigand, R. Stierle, J. Gross, A. Preusche, A. DreizlerExperimental Investigation of Droplet Injections in the Vicinity of the Critical Point: A comparison of different model approaches
- E. Sauer, J. GrossClassical Density Functional Theory for Liquid–Fluid Interfaces and Confined Systems: A Functional for the Perturbed-Chain Polar Statistical Associating Fluid Theory Equation of State2017, Industrial & Engineering Chemistry Research 56, 4119–4135
- T. v. Westen, J. GroßA critical evaluation of perturbation theories by Monte Carlo simulation of the first four perturbation terms in a Helmholtz energy expansion for the Lennard-Jones fluid2017, JOURNAL OF CHEMICAL PHYSICS 147
- J. Schilling, M. Lampe, J. Gross, A. Bardow1-Stage CoMT-CAMD: An Approach for Integrated Design of ORC Process and Working Fluid Using PC-SAFT2017, Chemical Engineering Science 159, 217–230
2016
- D. Weidler, J. GrossTransferable Anisotropic United-Atom Force Field Based on the Mie Potential for Phase Equilibria: Aldehydes, Ketones, and Small Cyclic Alkanes2016, Industrial & Engineering Chemistry Research 55, 12123–12132
- F. Drunsel, J. GroßTheory of model electrolyte solutions: Assessing the short- and long-ranged contributions by molecular simulations2016, FLUID PHASE EQUILIBRIA 430, 195–206
- J. Schilling, M. Lampe, J. Gross, A. BardowOne-stage approach for the integrated design of ORC processes and working fluid using PC-SAFTComputer Aided Chemical Engineering
- T. van Westen, T. J. H. Vlugt, J. GrossOn the Vapor-Liquid Equilibrium of Attractive Chain Fluids with Variable Degree of Molecular Flexibility (Vol 142, 224504, 2015)2016, Journal of Chemical Physics 145
- S. Kjelstrup, D. Bedeaux, E. Johannessen, J. GrossNon-Equilibrium Thermodynamics for Engineers2016, WORLD SCIENTIFIC
- M. Stavrou, A. Bardow, J. GrossEstimation of the Binary Interaction Parameter K(ij) of the PC-SAFT Equation of State Based on Pure Component Parameters Using a QSPR Method2016, Fluid Phase Equilibria 416, 138–149
- W. Zmpitas, J. GroßDetailed pedagogical review and analysis of Wertheim’s thermodynamic perturbation theory2016, FLUID PHASE EQUILIBRIA 428, 121–152
- F. Drunsel, J. GrossChemical Potential of Model Electrolyte Solutions Consisting of Hard Sphere Ions and Hard Dipoles from Molecular Simulations2016, Fluid Phase Equilibria 429, 205–213
- O. Loetgering-Lin, A. Schoeniger, W. Nowak, J. GrossBayesian Model Selection Helps to Choose Objectively between Thermodynamic Models: A Demonstration of Selecting a Viscosity Model Based on Entropy Scaling2016, Industrial & Engineering Chemistry Research 55, 10191–10207
- W. Zmpitas, J. GroßA new equation of state for linear hard chains: Analysis of a third-order expansion of Wertheim’s Thermodynamic Perturbation Theory2016, FLUID PHASE EQUILIBRIA 416, 18–26
2015
- A. Hemmen, J. GrossTransferable Anisotropic United-Atom Force Field Based on the Mie Potential for Phase Equilibrium Calculations: N-Alkanes and N-Olefins2015, Journal of Physical Chemistry B 119, 11695–11707
- T. van Westen, T. J. H. Vlugt, J. GrossOn the Vapor-Liquid Equilibrium of Attractive Chain Fluids with Variable Degree of Molecular Flexibility2015, Journal of Chemical Physics 142
- O. Loetgering-Lin, J. GrossGroup Contribution Method for Viscosities Based on Entropy Scaling Using the Perturbed-Chain Polar Statistical Associating Fluid Theory2015, Industrial & Engineering Chemistry Research 54, 7942–7952
- A. Hemmen, A. Z. Panagiotopoulos, J. GrossGrand Canonical Monte Carlo Simulations Guided by an Analytic Equation of State-Transferable Anisotropic Mie Potentials for Ethers2015, Journal of Physical Chemistry B 119, 7087–7099
- G. Bauer, A. Lange, N. Gribova, C. Holm, J. GroßEffective Potentials between Gold Nano Crystals–Functional Dependence on Temperature2015, Molecular Simulation 41
- A. Lange, F. Danecker, G. Bauer, N. Gribova, J. GroßDifferent Ways of Looking at the Force between Two Nanocrystals2015, The Journal of Chemical Physics 143
- C. Klink, B. Plankova, J. GrossDensity Functional Theory for Liquid-Liquid Interfaces of Mixtures Using the Perturbed-Chain Polar Statistical Associating Fluid Theory Equation of State2015, Industrial & Engineering Chemistry Research 54, 4633–4642
- M. Lampe, M. Stavrou, J. Schilling, E. Sauer, J. Gross, A. BardowComputer-Aided Molecular Design in the Continuous-Molecular Targeting Framework Using Group-Contribution PC-SAFT2015, Computers & Chemical Engineering 81, 278–287
- C. Klink, C. Waibel, J. GrossAnalysis of Interfacial Transport Resistivities of Pure Components and Mixtures Based on Density Functional Theory2015, INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH 54, 11483–11492
- T. van Westen, B. Oyarzun, T. J. H. Vlugt, J. GrossAn Analytical Equation of State for Describing Isotropic-Nematic Phase Equilibria of Lennard-Jones Chain Fluids with Variable Degree of Molecular Flexibility2015, Journal of Chemical Physics 142
2014
- T. van Westen, T. J. H. Vlugt, J. GrossThe Isotropic-Nematic and Nematic-Nematic Phase Transition of Binary Mixtures of Tangent Hard-Sphere Chain Fluids: An Analytical Equation of State2014, Journal of Chemical Physics 140
- M. Lampe, M. Stavrou, H. M. Buecker, J. Gross, A. BardowSimultaneous Optimization of Working Fluid and Process for Organic Rankine Cycles Using PC-SAFT2014, Industrial & Engineering Chemistry Research 53, 8821–8830
- M. Stavrou, M. Lampe, A. Bardow, J. GrossPhysically-based Thermodynamic Models in Integrated Process and Molecular Design24th European Symposium on Computer Aided Process Engineering, Pts a and B
- M. Stavrou, M. Lampe, A. Bardow, J. GrossContinuous Molecular Targeting-Computer-Aided Molecular Design (CoMT-CAMD) for Simultaneous Process and Solvent Design for CO2 Capture2014, Industrial & Engineering Chemistry Research 53, 18029–18041
- M. Lampe, C. Kirmse, E. Sauer, M. Stavrou, J. Gross, A. BardowComputer-aided Molecular Design of ORC Working Fluids using PC-SAFTProceedings of the 8th International Conference on Foundations of Computer-Aided Process Design
- E. Sauer, M. Stavrou, J. GrossComparison between a Homo- and a Heterosegmented Group Contribution Approach Based on the Perturbed-Chain Polar Statistical Associating Fluid Theory Equation of State2014, Industrial & Engineering Chemistry Research 53, 14854–14864
- K. S. Schmid, J. Gross, R. HelmigChemical Osmosis in Two-Phase Flow and Salinity-Dependent Capillary Pressures in Rocks with Microporosity2014, Water Resources Research 50, 763–789
- T. van Westen, B. Oyarzun, T. J. H. Vlugt, J. GrossAn Equation of State for the Isotropic Phase of Linear, Partially Flexible and Fully Flexible Tangent Hard-Sphere Chain Fluids2014, Molecular Physics 112, 919–928
- F. Drunsel, W. Zmpitas, J. GrossA New Perturbation Theory for Electrolyte Solutions2014, Journal of Chemical Physics 141
- C. Klink, J. GrossA Density Functional Theory for Vapor-Liquid Interfaces of Mixtures Using the Perturbed-Chain Polar Statistical Associating Fluid Theory Equation of State2014, Industrial & Engineering Chemistry Research 53, 6169–6178
2013
- T. van Westen, B. Oyarzun, T. J. H. Vlugt, J. GrossThe Isotropic-Nematic Phase Transition of Tangent Hard-Sphere Chain Fluids-Pure Components2013, Journal of Chemical Physics 139
- J. M. C. Sanchez, T. Danner, J. GrossGrand Canonical Monte Carlo Simulations of Vapor-Liquid Equilibria Using a Bias Potential from an Analytic Equation of State2013, Journal of Chemical Physics 138
2012
- M. Lampe, J. Gross, A. BardowSimultaneous process and working fluid optimisation for Organic Rankine Cycles (ORC) using PC-SAFT22 European Symposium on Computer Aided Process Engineering
- S. Korden, N. V. Nhu, J. Vrabec, J. Gross, K. LeonhardOn the Treatment of Electrostatic Interactions of Non-Spherical Molecules in Equation of State Models2012, Soft Materials 10, 81–105
- T. van Westen, T. J. H. Vlugt, J. GrossAn Analytical Approximation for the Orientation-Dependent Excluded Volume of Tangent Hard Sphere Chains of Arbitrary Chain Length and Flexibility2012, Journal of Chemical Physics 137
- C. Braun, S. Holst, H.-J. Wunderlich, J. M. Castillo-Sanchez, J. GrossAcceleration of Monte-Carlo molecular simulations on hybrid computing architectures.
2011
- C. S. Schacht, T. J. H. Vlugt, J. GrossUsing an Analytic Equation of State to Obtain Quantitative Solubilities of CO2 by Molecular Simulation2011, Journal of Physical Chemistry Letters 2, 393–396
- L. V. van der Ham, J. Gross, S. KjelstrupTwo Performance Indicators for the Characterization of the Entropy Production in a Process Unit2011, Energy 36, 3727–3732
- C. S. y. Schacht, C. Schuell, H. Frey, T. W. de Loos, J. GrossPhase Behavior of the System Linear Polyglycerol plus Methanol plus Carbon Dioxide2011, Journal of Chemical and Engineering Data 56, 2927–2931
- B. Oyarzún, A. Bardow, J. GrossIntegration of Process and Solvent Design towards a Novel Generation of CO2 Absorption Capture Systems2011, Energy Procedia 4, 282–290
- K. Damen, R. Gnutek, J. Kaptein, N. R. Nannan, B. Oyarzun, C. Trapp, et al.Developments in the Pre-Combustion CO2 Capture Pilot Plant at the Buggenum IGCC2011, Energy Procedia 4, 1214–1221
- T. van Westen, T. J. H. Vlugt, J. GrossDetermining Force Field Parameters Using a Physically Based Equation of State2011, Journal of Physical Chemistry B 115, 7872–7880
2010
- X. Tang, J. GrossRenormalization-Group Corrections to the Perturbed-Chain Statistical Associating Fluid Theory for Binary Mixtures2010, Industrial & Engineering Chemistry Research 49, 9436–9444
- C. S. Schacht, S. Bahrarnali, D. Wilms, H. Frey, J. Gross, T. W. de LoosPhase Behavior of the System Hyperbranched Polyglycerol plus Methanol plus Carbon Dioxide2010, Fluid Phase Equilibria 299, 252–258
- S. Kjelstrup, D. Bedeaux, E. Johannessen, J. GrossNon-Equilibrium Thermodynamics for Engineers2010, WORLD SCIENTIFIC
- X. Tang, J. GrossModeling the Phase Equilibria of Hydrogen Sulfide and Carbon Dioxide in Mixture with Hydrocarbons and Water Using the PCP-SAFT Equation of State2010, Fluid Phase Equilibria 293, 11–21
- S. Herzog, J. Gross, W. ArltEquation of State for Aqueous Electrolyte Systems Based on the Semirestricted Non-Primitive Mean Spherical Approximation2010, Fluid Phase Equilibria 297, 23–33
- X. Tang, J. GrossDensity Functional Theory for Calculating Surface Tensions with a Simple Renormalization Formalism for the Critical Point2010, Journal of Supercritical Fluids 55, 735–742
- A. Bardow, K. Steur, J. GrossContinuous-Molecular Targeting for Integrated Solvent and Process Design2010, Industrial & Engineering Chemistry Research 49, 2834–2840
- C. S. Schacht, L. Zubeir, T. W. de Loos, J. GrossApplication of Infinite Dilution Activity Coefficients for Determining Binary Equation of State Parameters2010, Industrial & Engineering Chemistry Research 49, 7646–7653
2009
- J. Kuhn, J. Gross, F. KapteijnTuning the Framework Polarity in MFI Membranes by Deboronation: Effect on Mass Transport2009, Microporous and Mesoporous Materials 125, 39–45
- M. K. Kozlowska, B. F. Jurgens, C. S. Schacht, J. Gross, T. W. de LoosPhase Behavior of Hyperbranched Polymer Systems: Experiments and Application of the Perturbed-Chain Polar SAFT Equation of State2009, Journal of Physical Chemistry B 113, 1022–1029
- J. Kuhn, S. Sutanto, J. Gascon, J. Gross, F. KapteijnPerformance and Stability of Multi-Channel MFI Zeolite Membranes Detemplated by Calcination and Ozonication in Ethanol/Water Pervaporation2009, Journal of Membrane Science 339, 261–274
- X. Tang, R. Spoek, J. GrossModeling the Phase Equilibria of CO2 and H2S in Aqueous Electrolyte Systems at Elevated Pressure2009, Energy Procedia 1, 1807–1814
- L. V. van der Ham, J. Gross, A. Verkooijen, S. KjelstrupEfficient Conversion of Thermal Energy into Hydrogen: Comparing Two Methods to Reduce Exergy Losses in a Sulfuric Acid Decomposition Reactor2009, Industrial & Engineering Chemistry Research 48, 8500–8507
- J. Kuhn, J. Gascon, J. Gross, F. KapteijnDetemplation of DDR Type Zeolites by Ozonication2009, Microporous and Mesoporous Materials 120, 12–18
- J. Kuhn, M. Motegh, J. Gross, F. KapteijnDetemplation of BMFI Zeolite Crystals by Ozonication2009, Microporous and Mesoporous Materials 120, 35–38
- J. Kuhn, J. M. Castillo-Sanchez, J. Gascon, S. Calero, D. Dubbeldam, T. J. H. Vlugt, et al.Adsorption and Diffusion of Water, Methanol, and Ethanol in All-Silica DD3R: Experiments and Simulation2009, Journal of Physical Chemistry C 113, 14290–14301
- J. Kuhn, R. Stemmer, F. Kapteijn, S. Kjelstrup, J. GrossA Non-Equilibrium Thermodynamics Approach to Model Mass and Heat Transport for Water Pervaporation through a Zeolite Membrane2009, Journal of Membrane Science 330, 388–398
- J. GrossA Density Functional Theory for Vapor-Liquid Interfaces Using the PCP-SAFT Equation of State2009, Journal of Chemical Physics 131
- A. Bardow, K. Steur, J. GrossA Continuous Targeting Approach for Integrated Solvent and Process Design Based on Molecular Thermodynamic Models2009, 10th International Symposium on Process Systems Engineering 27, 813–818
2008
- J. Vrabec, J. GrossVapor-Liquid Equilibria Simulation and an Equation of State Contribution for Dipole-Quadrupole Interactions2008, Journal of Physical Chemistry B 112, 51–60
- E. Johannessen, J. Gross, D. BedeauxNonequilibrium Thermodynamics of Interfaces Using Classical Density Functional Theory2008, Journal of Chemical Physics 129
- J. Kuhn, K. Yajima, T. Tomita, J. Gross, F. KapteijnDehydration Performance of a Hydrophobic DD3R Zeolite Membrane2008, Journal of Membrane Science 321, 344–349
2007
- F. de Bruijn, J. Gross, Z. Olujic, P. Jansens, F. KapteijnOn the Driving Force of Methanol Pervaporation through a Microporous Methylated Silica Membrane2007, Industrial & Engineering Chemistry Research 46, 4091–4099
- J. Kuhn, J. Gross, J. C. Jansen, F. Kapteijn, P. J. JansensInvestigating mass transport in zeolite pores by tuning the framework polarityFrom Zeolites To Porous Mof Materials: the 40th Anniversary of International Zeolite Conference, Proceedings of the 15th International Zeolite Conference
- A. Selvi, B. Breure, J. Gross, J. de Graauw, P. J. JansensBasic Parameter Study for the Separation of a Isopropanol-Water Mixture by Using FricDiff Technology2007, Chemical Engineering and Processing 46, 810–817
2006
- J. Gross, J. VrabecAn Equation-of-State Contribution for Polar Components: Dipolar Molecules2006, Aiche Journal 52, 1194–1204
- M. Kleiner, J. GrossAn Equation of State Contribution for Polar Components: Polarizable Dipoles2006, Aiche Journal 52, 1951–1961
2005
- F. Tumakaka, J. Gross, G. SadowskiThermodynamic Modeling of Complex Systems Using PC-SAFT2005, Fluid Phase Equilibria 228, 89–98
- J. GrossAn Equation-of-State Contribution for Polar Components: Quadrupolar Molecules2005, Aiche Journal 51, 2556–2568
2004
- O. Spuhl, S. Herzog, J. Gross, I. Smirnova, W. ArltReactive Phase Equilibria in Silica Aerogel Synthesis: Experimental Study and Prediction of the Complex Phase Behavior Using the PC-SAFT Equation of State2004, Industrial & Engineering Chemistry Research 43, 4457–4464
- J. Gross, G. SadowskiPerturbed-Chain-SAFT: development of a new equation of state for simple, associating, multipolar and polymeric compoundsSupercritical fluids as solvents and reaction media
2003
- J. Gross, O. Spuhl, F. Tumakaka, G. SadowskiModeling Copolymer Systems Using the Perturbed-Chain SAFT Equation of State2003, Industrial & Engineering Chemistry Research 42, 1266–1274
2002
- J. Gross, G. SadowskiModeling Polymer Systems Using the Perturbed-Chain Statistical Associating Fluid Theory Equation of State2002, Industrial & Engineering Chemistry Research 41, 1084–1093
- F. Tumakaka, J. Gross, G. SadowskiModeling of Polymer Phase Equilibria Using Perturbed-Chain SAFT2002, Fluid Phase Equilibria 194, 541–551
- J. Gross, G. SadowskiApplication of the Perturbed-Chain SAFT Equation of State to Associating Systems2002, Industrial & Engineering Chemistry Research 41, 5510–5515
2001
- J. Gross, G. SadowskiPerturbed-Chain SAFT: An Equation of State Based on a Perturbation Theory for Chain Molecules2001, Industrial & Engineering Chemistry Research 40, 1244–1260
- M. Seiler, J. Gross, B. Bungert, G. Sadowski, W. ArltModeling of Solid/Fluid Phase Equilibria in Multicomponent Systems at High Pressure2001, Chemical Engineering & Technology 24, 607–612
2000
- M. Seiler, J. Gross, B. Bungert, G. Sadowski, W. ArltCalculation of Solid/Fluid Equilibria at Elevated Pressures2000, Chemie Ingenieur Technik 72, 722–727
- J. Gross, G. SadowskiApplication of Perturbation Theory to a Hard-Chain Reference Fluid: An Equation of State for Square-Well Chains2000, Fluid Phase Equilibria 168, 183–199