| Автор | J I Siepmann |
| Автор | I R McDonald |
| Автор | D Frenkel |
| Дата выпуска | 1992-01-20 |
| dc.description | The particle-insertion method of Widom (1963) has been widely used in numerical simulations for the purpose of calculating the excess chemical potential, mu <sub>ex</sub>. It is known, however, that values of mu <sub>ex</sub> obtained by Widom's method are strongly dependent on N, the number of particles in the system. The authors use the formalism of the grand-canonical ensemble to derive an expression for the leading term in the finite-size correction to mu <sub>ex</sub>. The new expression reduces to the exact result for hard rods and gives numerical results in good agreement with those of simulations of hard-disk and hard-sphere fluids. It is, in both respects, an improvement over an expression previously derived by Smit and Frenkel via a thermodynamic argument. |
| Формат | application.pdf |
| Издатель | Institute of Physics Publishing |
| Название | Finite-size corrections to the chemical potential |
| Тип | paper |
| DOI | 10.1088/0953-8984/4/3/009 |
| Electronic ISSN | 1361-648X |
| Print ISSN | 0953-8984 |
| Журнал | Journal of Physics: Condensed Matter |
| Том | 4 |
| Первая страница | 679 |
| Последняя страница | 691 |
| Аффилиация | J I Siepmann; Dept. of Chem., Cambridge Univ., UK |
| Аффилиация | I R McDonald; Dept. of Chem., Cambridge Univ., UK |
| Аффилиация | D Frenkel; Dept. of Chem., Cambridge Univ., UK |
| Выпуск | 3 |
