39 results on '"Gross, Joachim"'
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2. Multifidelity Gaussian Processes for Predicting Shear Viscosity over Wide Ranges of Liquid State Points Based on Molecular Dynamics Simulations.
3. PCP-SAFT Parameters of Pure Substances Using Large Experimental Databases
4. FeOs: An Open-Source Framework for Equations of State and Classical Density Functional Theory
5. Surfactant Modeling Using Classical Density Functional Theory and a Group Contribution PC-SAFT Approach
6. Modified Stokes–Einstein Equation for Molecular Self-Diffusion Based on Entropy Scaling
7. Transferable Anisotropic United-Atom Mie (TAMie) Force Field: Transport Properties from Equilibrium Molecular Dynamic Simulations
8. Transferable Anisotropic Mie-Potential Force Field for n-Alcohols: Static and Dynamic Fluid Properties of Pure Substances and Binary Mixtures
9. Erratum to “Self-Diffusion Coefficients from Entropy Scaling Using the PCP-SAFT Equation of State”
10. Thermal Conductivity from Entropy Scaling: A Group-Contribution Method
11. Thermal Conductivity via Entropy Scaling: An Approach That Captures the Effect of Intramolecular Degrees of Freedom
12. Reply to Comment on “Perturbed-Chain SAFT: An Equation of State Based on a Perturbation Theory for Chain Molecules”
13. Self-Diffusion Coefficients from Entropy Scaling Using the PCP-SAFT Equation of State
14. Identifying Pure-Component Parameters of an Analytic Equation of State Using Experimental Surface Tension or Molecular Simulations with a Transferable Force Field
15. Pure Substance and Mixture Viscosities Based on Entropy Scaling and an Analytic Equation of State
16. Thermal Conductivity of Real Substances from Excess Entropy Scaling Using PCP-SAFT
17. 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
18. Transferable Anisotropic United-Atom Force Field Based on the Mie Potential for Phase Equilibria: Aldehydes, Ketones, and Small Cyclic Alkanes
19. Transferable Anisotropic Mie-Potential Force Field for n-Alcohols: Static and Dynamic Fluid Properties of Pure Substances and Binary Mixtures
20. Bayesian Model Selection Helps To Choose Objectively between Thermodynamic Models: A Demonstration of Selecting a Viscosity Model Based on Entropy Scaling
21. Analysis of Interfacial Transport Resistivities of Pure Components and Mixtures Based on Density Functional Theory
22. Group Contribution Method for Viscosities Based on Entropy Scaling Using the Perturbed-Chain Polar Statistical Associating Fluid Theory
23. Density Functional Theory for Liquid–Liquid Interfaces of Mixtures Using the Perturbed-Chain Polar Statistical Associating Fluid Theory Equation of State
24. Continuous Molecular Targeting–Computer-Aided Molecular Design (CoMT–CAMD) for Simultaneous Process and Solvent Design for CO2 Capture
25. Comparison between a Homo- and a Heterosegmented Group Contribution Approach Based on the Perturbed-Chain Polar Statistical Associating Fluid Theory Equation of State
26. A Density Functional Theory for Vapor–Liquid Interfaces of Mixtures Using the Perturbed-Chain Polar Statistical Associating Fluid Theory Equation of State
27. Renormalization-Group Corrections to the Perturbed-Chain Statistical Associating Fluid Theory for Binary Mixtures
28. Continuous-Molecular Targeting for Integrated Solvent and Process Design
29. Efficient Conversion of Thermal Energy into Hydrogen: Comparing Two Methods to Reduce Exergy Losses in a Sulfuric Acid Decomposition Reactor
30. On the Driving Force of Methanol Pervaporation through a Microporous Methylated Silica Membrane
31. Group Contribution Method for Viscosities Based on Entropy Scaling Using the Perturbed-Chain Polar Statistical Associating Fluid Theory.
32. ContinuousMolecular Targeting–Computer-AidedMolecular Design(CoMT–CAMD) for Simultaneous Process and Solvent Design forCO2Capture.
33. Reactive Phase Equilibria in Silica Aerogel Synthesis: Experimental Study and Prediction of the Complex Phase Behavior Using the PC-SAFT Equation of State
34. Modeling Copolymer Systems Using the Perturbed-Chain SAFT Equation of State
35. Application of the Perturbed-Chain SAFT Equation of State to Associating Systems
36. Modeling Polymer Systems Using the Perturbed-Chain Statistical Associating Fluid Theory Equation of State
37. Perturbed-Chain SAFT: An Equation of State Based on a Perturbation Theory for Chain Molecules
38. Comparisonbetween a Homo- and a Heterosegmented GroupContribution Approach Based on the Perturbed-Chain Polar StatisticalAssociating Fluid Theory Equation of State.
39. A DensityFunctional Theory for Vapor–LiquidInterfaces of Mixtures Using the Perturbed-Chain Polar StatisticalAssociating Fluid Theory Equation of State.
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