A comparison of non-equilibrium molecular dynamics and NPT Monte Carlo methods for mixing properties and partial molar
Author:
Publisher
Informa UK Limited
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Molecular Biology,Biophysics
Link
https://www.tandfonline.com/doi/pdf/10.1080/002689797171995
Reference17 articles.
1. Calculation of the thermodynamic properties of model mixtures by Monte Carlo simulation
2. A direct method for determination of chemical potential with molecular dynamics simulations
3. Molecular dynamics simulation of the chemical potentials of mixtures
4. Henry constants in non-ideal fluid mixtures
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