Inadequacy of the Lorentz-Berthelot combining rules for accurate predictions of equilibrium properties by molecular simulation

By J. Delhommelle, P. Millié. 2001

408 citations recorded by the source corpus.

Subfields: Biomedical Engineering, Fluid Flow and Transfer Processes, Organic Chemistry

View Paper: https://www.semanticscholar.org/paper/4f50164d5a35d5af9c2f8c3e1d300fdfa4dfd05c

How researchers see this paper

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In Biomedical Engineering

1. Zhenhao Duan
2. Zhigang Zhang
3. Chi Zhang

In Fluid Flow and Transfer Processes

1. Zhenhao Duan
2. Zhigang Zhang
3. Chi Zhang

In Organic Chemistry

1. Zhigang Zhang
2. Zhenhao Duan

Citations in the corpus

• Equation of state of the H2O, CO2, and H2O-CO2 systems up to 10 GPa and 2573.15 K: Molecular dynamics simulations with ab initio potential surface (2006, methodology): “Another combining rule discussed here is proposed by Kong and is considered to be superior to Lorentz–Berthelot combining rule for accurate predictions of equilibrium properties (Delhommelle and Mille, 2001).”