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A5057409901
Research Areas
- Advanced Thermodynamics and Statistical Mechanics
- Phase Equilibria and Thermodynamics
- Material Dynamics and Properties
Oregon State University
2022
We introduce a soft fundamental measure theory functional for the purely repulsive Weeks-Chandler-Andersen (WCA) fluid. This classical density could serve as reference fluid functionals created using thermodynamic perturbation instead of hard-sphere Our incorporates temperature-dependent parameters describing length scale and effective softness particle interaction, which reproduce second virial coefficient WCA find that this approach is comparable in accuracy to Barker-Henderson combined...
10.1103/physreve.106.064134
article
EN
Physical review. E
2022-12-27
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