Concepedia

The third industrial fluid properties simulation challenge

Fiona Case, John K. Brennan, Anne M. Chaka, Kerwin D. Dobbs, Daniel G. Friend, D. J. Frurip, Peter A. Gordon, Jonathan Moore, Raymond D. Mountain, James D. Olson,

Fluid Phase Equilibria · 2007 · 32 citations · 44 references

DOI

Concepts

References

44

Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids

William L. Jorgensen, David S. Maxwell, Julian Tirado‐Rives · Journal of the American Chemical Society · 1996 · 15.3K citations

, , +17

Perturbed-Chain SAFT:  An Equation of State Based on a Perturbation Theory for Chain Molecules

Gabriele Sadowski · Industrial & Engineering Chemistry Research · 2001 · 3.5K citations

, , +17

Fast solvent screening via quantum chemistry: COSMO‐RS approach

Frank Eckert, Andreas Klamt · AIChE Journal · 2002 · 1.8K citations · Full text

, , +17

COSMO-RS: a novel and efficient method for the a priori prediction of thermophysical data of liquids

Andreas Klamt, Frank Eckert · Fluid Phase Equilibria · 2000 · 1.3K citations · Full text

, , +13

Determining the shear viscosity of model liquids from molecular dynamics simulations

Berk Hess · The Journal of Chemical Physics · 2002 · 798 citations · Full text

, , +17