Mean spherical approximation for the Lennard-Jones-like two Yukawa model: Comparison against Monte Carlo data
Monte Carlo simulation studies are performed for the Lennard-Jones like two Yukawa (LJ2Y) potential to show how properties of this model fluid depend on the replacement of the soft repulsion by the hard-core repulsion. Different distances for the positioning of hard core have been explored. We have...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
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Institute for Condensed Matter Physics
2011-09-01
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| Series: | Condensed Matter Physics |
| Subjects: | |
| Online Access: | http://dx.doi.org/10.5488/CMP.14.33005 |
| _version_ | 1818549536404013056 |
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| author | A. Trokhymchuk R. Melnyk I. Nezbeda J. Krejčí |
| author_facet | A. Trokhymchuk R. Melnyk I. Nezbeda J. Krejčí |
| author_sort | A. Trokhymchuk |
| collection | DOAJ |
| description | Monte Carlo simulation studies are performed for the Lennard-Jones like two Yukawa (LJ2Y) potential to show how properties of this model fluid depend on the replacement of the soft repulsion by the hard-core repulsion. Different distances for the positioning of hard core have been explored. We have found, that for temperatures that are slightly lower and slightly higher of the critical point temperature for the Lennard-Jones fluid, placing the hard core at distances that are shorter than zero-potential energy is well justified by thermodynamic properties that are practically the same as in original LJ2Y model without hard core. However, going to extreme conditions with the high temperature one should be careful since presence of the hard core provokes changes in the properties of the system. The later is extremely important when the mean spherical approximation (MSA) theory is applied to treat the Lennard-Jones-like fluid. |
| first_indexed | 2024-12-12T08:34:38Z |
| format | Article |
| id | doaj.art-fde1805911664d028ff234c3cf70e077 |
| institution | Directory Open Access Journal |
| issn | 1607-324X |
| language | English |
| last_indexed | 2024-12-12T08:34:38Z |
| publishDate | 2011-09-01 |
| publisher | Institute for Condensed Matter Physics |
| record_format | Article |
| series | Condensed Matter Physics |
| spelling | doaj.art-fde1805911664d028ff234c3cf70e0772022-12-22T00:30:59ZengInstitute for Condensed Matter PhysicsCondensed Matter Physics1607-324X2011-09-0114333005Mean spherical approximation for the Lennard-Jones-like two Yukawa model: Comparison against Monte Carlo dataA. TrokhymchukR. MelnykI. NezbedaJ. KrejčíMonte Carlo simulation studies are performed for the Lennard-Jones like two Yukawa (LJ2Y) potential to show how properties of this model fluid depend on the replacement of the soft repulsion by the hard-core repulsion. Different distances for the positioning of hard core have been explored. We have found, that for temperatures that are slightly lower and slightly higher of the critical point temperature for the Lennard-Jones fluid, placing the hard core at distances that are shorter than zero-potential energy is well justified by thermodynamic properties that are practically the same as in original LJ2Y model without hard core. However, going to extreme conditions with the high temperature one should be careful since presence of the hard core provokes changes in the properties of the system. The later is extremely important when the mean spherical approximation (MSA) theory is applied to treat the Lennard-Jones-like fluid.http://dx.doi.org/10.5488/CMP.14.33005two Yukawa potentialLennard-Jones fluidmean spherical approximationMonte Carlo simulations |
| spellingShingle | A. Trokhymchuk R. Melnyk I. Nezbeda J. Krejčí Mean spherical approximation for the Lennard-Jones-like two Yukawa model: Comparison against Monte Carlo data Condensed Matter Physics two Yukawa potential Lennard-Jones fluid mean spherical approximation Monte Carlo simulations |
| title | Mean spherical approximation for the Lennard-Jones-like two Yukawa model: Comparison against Monte Carlo data |
| title_full | Mean spherical approximation for the Lennard-Jones-like two Yukawa model: Comparison against Monte Carlo data |
| title_fullStr | Mean spherical approximation for the Lennard-Jones-like two Yukawa model: Comparison against Monte Carlo data |
| title_full_unstemmed | Mean spherical approximation for the Lennard-Jones-like two Yukawa model: Comparison against Monte Carlo data |
| title_short | Mean spherical approximation for the Lennard-Jones-like two Yukawa model: Comparison against Monte Carlo data |
| title_sort | mean spherical approximation for the lennard jones like two yukawa model comparison against monte carlo data |
| topic | two Yukawa potential Lennard-Jones fluid mean spherical approximation Monte Carlo simulations |
| url | http://dx.doi.org/10.5488/CMP.14.33005 |
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