Grand canonical Monte Carlo simulations of a Stockmayer fluid in a slit micropore
| العنوان: | Grand canonical Monte Carlo simulations of a Stockmayer fluid in a slit micropore |
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| المؤلفون: | J.H. Cushman, K. ‐K. Han, D.J. Diestler |
| المصدر: | Molecular Physics. 79:537-545 |
| بيانات النشر: | Informa UK Limited, 1993. |
| سنة النشر: | 1993 |
| مصطلحات موضوعية: | Chemistry, Monte Carlo method, Biophysics, Thermodynamics, Microporous material, Condensed Matter Physics, Physics::Fluid Dynamics, Dipole, Phase (matter), Moment (physics), Pore fluid, Degree of order, Physical and Theoretical Chemistry, Molecular Biology, Grand canonical monte carlo |
| الوصف: | The structure of a Stockmayer fluid confined to a slit-pore, that is between two parallel f.c.c. (100) planes of rigidly fixed Lennard-Jones (12, 6) atoms (walls), is studied by means of the grand-canonical ensemble Monte Carlo method. The pore fluid is in equilibrium with its bulk phase counterpart, which is liquid. The local density and the cylindrical pair-correlation function in planes parallel to the walls, indicate that the structure of the pore fluid depends strongly on the distance h separating the walls and on their lateral alignment (registry). The pore phase may be liquid, solid or gaseous depending on the registry, h, and the strength |μ| of the dipole moment. The additional degree of freedom provided by |μ| of the Stockmayer fluid strongly influences the structure of the pore fluid. As |μ| increases, the degree of order of the pore fluid decreases. |
| تدمد: | 1362-3028 0026-8976 |
| URL الوصول: | https://explore.openaire.eu/search/publication?articleId=doi_________::1dd5f5467f170acf35c484ad1bc6e529 https://doi.org/10.1080/00268979300101431 |
| رقم الأكسشن: | edsair.doi...........1dd5f5467f170acf35c484ad1bc6e529 |
| قاعدة البيانات: | OpenAIRE |
PDF full text from Publisher | تدمد: | 13623028 00268976 |
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