Research output: Contribution to journal › Article › peer-review
Abstract: The work is devoted to the application of the Hill method for calculating the chemical potential of a molecule in the one-component homogeneous molecular system within computer simulations. This method is based on the double integration of molecular radial distribution functions, which depend on the additional parameter that controls the strength of interactions between the molecules. The results of calculating the chemical potential of the argon molecule by the Hill method are compared with our data obtained by two other methods: the Widom test-particle method and the extended ensemble method within the Wang–Landau algorithm.
Translated title of the contribution | Вычисление химического потенциала молекулы на основе радиальных функций распределения |
---|---|
Original language | English |
Pages (from-to) | 634-640 |
Number of pages | 7 |
Journal | Colloid Journal |
Volume | 82 |
Issue number | 6 |
DOIs | |
State | Published - Nov 2020 |
ID: 71305723