Test of the Duh-Haymet-Henderson theory for mixtures: cavity correlation functions and excess volumes

Zheng Guo,J. Karl Johnson,Stanislav Labík,Douglas Henderson

Test of the Duh-Haymet-Henderson theory for mixtures: cavity correlation functions and excess volumes

2019

Zheng Guo
J. Karl Johnson
Stanislav Labík
Douglas Henderson

The accuracy of the Duh-Haymet-Henderson (DHH) integral equation theory for predicting the cavity correlation functions of mixtures has been tested by comparison with molecular simulations. We have...

Keywords:

Molecular dynamics
Integral equation
Thermodynamics
Chemistry
Computational chemistry
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