Measuring the Properties of Liquids by Counting
In the computer simulation method (NVE ensemble) of determining the properties of classical liquids there are well established procedures for determining the properties of the liquid. We suggest an alternative procedure, for many properties, based on counting the passage of particles through a notio...
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| Veröffentlicht in: | Proceedings of the Royal Society. A, Mathematical and physical sciences Mathematical and physical sciences, 1994-09, Vol.446 (1928), p.429-439 |
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| container_end_page | 439 |
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| container_issue | 1928 |
| container_start_page | 429 |
| container_title | Proceedings of the Royal Society. A, Mathematical and physical sciences |
| container_volume | 446 |
| creator | Powles, J. G. Mallett, M. J. D. Evans, W. A. B. |
| description | In the computer simulation method (NVE ensemble) of determining the properties of classical liquids there are well established procedures for determining the properties of the liquid. We suggest an alternative procedure, for many properties, based on counting the passage of particles through a notional plane in the liquid. This method is used in homogeneous liquids as an alternative way of determining the temperature, the diffusion coefficient and the velocity autocorrelation function. In inhomogeneous systems the new procedure is used to determine the density profile. For all properties, except the velocity autocorrelation function, the method proposed is more accurate for given computational effort than the coventional one. |
| doi_str_mv | 10.1098/rspa.1994.0113 |
| format | Article |
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G.</creatorcontrib><creatorcontrib>Mallett, M. J. D.</creatorcontrib><creatorcontrib>Evans, W. A. B.</creatorcontrib><title>Measuring the Properties of Liquids by Counting</title><title>Proceedings of the Royal Society. A, Mathematical and physical sciences</title><addtitle>Proc. R. Soc. Lond. A</addtitle><addtitle>Proc. R. Soc. Lond. A</addtitle><description>In the computer simulation method (NVE ensemble) of determining the properties of classical liquids there are well established procedures for determining the properties of the liquid. We suggest an alternative procedure, for many properties, based on counting the passage of particles through a notional plane in the liquid. This method is used in homogeneous liquids as an alternative way of determining the temperature, the diffusion coefficient and the velocity autocorrelation function. In inhomogeneous systems the new procedure is used to determine the density profile. For all properties, except the velocity autocorrelation function, the method proposed is more accurate for given computational effort than the coventional one.</description><subject>Approximation</subject><subject>Atoms</subject><subject>Autocorrelation</subject><subject>Classical and quantum physics: mechanics and fields</subject><subject>Classical mechanics of continuous media: general mathematical aspects</subject><subject>Computational methods in fluid dynamics</subject><subject>Computer simulation</subject><subject>Correlation methods</subject><subject>Cubes</subject><subject>Density</subject><subject>Density (specific gravity)</subject><subject>Diffusion</subject><subject>Energy</subject><subject>Exact sciences and technology</subject><subject>Fluid mechanics: general mathematical aspects</subject><subject>Liquids</subject><subject>Mathematical methods in physics</subject><subject>Numerical approximation and analysis</subject><subject>Numerical simulation, solution of equations</subject><subject>Particle interactions</subject><subject>Particles (particulate matter)</subject><subject>Physical properties</subject><subject>Physics</subject><subject>Temperature measurement</subject><subject>Thermodynamic equilibrium</subject><issn>1364-5021</issn><issn>0962-8444</issn><issn>1471-2946</issn><issn>2053-9177</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>1994</creationdate><recordtype>article</recordtype><recordid>eNp9kktv1DAUhSMEEqWwZcEqCwSrTP12vELVqOWhGdFCYXvlZJyOhzRO7QQIvx4nqUYaIWblx_3Oub5HTpKXGC0wUvmZD61eYKXYAmFMHyUnmEmcEcXE47ingmUcEfw0eRbCDiGkeC5PkrO10aH3trlNu61Jr7xrje-sCamr0pW97-0mpMWQLl3fdJF6njypdB3Mi4f1NPl2eXGz_JCtPr__uDxfZSVXuMuqklcFIkTmglMkJEc6x6rAcrPhJl4qow0pCNU5o7IqMRak4IpuVFFwiXVBT5O3s2_r3X1vQgd3NpSmrnVjXB9AMia4QIhG8s1RkgjGGecigosZLL0LwZsKWm_vtB8AIxgThDFBGBOEMcEoeP3grEOp68rrprRhr2KEj6qI0RnzboiRuNKaboCd630Tj_83D8dUX75enUcY_YxzWqxIDiinGAlEsYI_tp3sRgAiADaE3sCEHbb5t-uruesudM7vR-EkfpVYzOaiDZ35vS9q_wOEpJLD95yBWKP19afLa7iJ_LuZ39rb7S_rDRzMMrUuXdOZppteOb2PEQVVX9fQbqrogI86uKH1QR-I6V9h5-YM</recordid><startdate>19940908</startdate><enddate>19940908</enddate><creator>Powles, J. 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B.</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c591t-fc5fb0227865306750a819b17dd5e7869eae2b23a8437fc1162b593d9bb571ab3</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>1994</creationdate><topic>Approximation</topic><topic>Atoms</topic><topic>Autocorrelation</topic><topic>Classical and quantum physics: mechanics and fields</topic><topic>Classical mechanics of continuous media: general mathematical aspects</topic><topic>Computational methods in fluid dynamics</topic><topic>Computer simulation</topic><topic>Correlation methods</topic><topic>Cubes</topic><topic>Density</topic><topic>Density (specific gravity)</topic><topic>Diffusion</topic><topic>Energy</topic><topic>Exact sciences and technology</topic><topic>Fluid mechanics: general mathematical aspects</topic><topic>Liquids</topic><topic>Mathematical methods in physics</topic><topic>Numerical approximation and analysis</topic><topic>Numerical simulation, solution of equations</topic><topic>Particle interactions</topic><topic>Particles (particulate matter)</topic><topic>Physical properties</topic><topic>Physics</topic><topic>Temperature measurement</topic><topic>Thermodynamic equilibrium</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Powles, J. 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B.</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Measuring the Properties of Liquids by Counting</atitle><jtitle>Proceedings of the Royal Society. A, Mathematical and physical sciences</jtitle><stitle>Proc. R. Soc. Lond. A</stitle><addtitle>Proc. R. Soc. Lond. A</addtitle><date>1994-09-08</date><risdate>1994</risdate><volume>446</volume><issue>1928</issue><spage>429</spage><epage>439</epage><pages>429-439</pages><issn>1364-5021</issn><issn>0962-8444</issn><eissn>1471-2946</eissn><eissn>2053-9177</eissn><abstract>In the computer simulation method (NVE ensemble) of determining the properties of classical liquids there are well established procedures for determining the properties of the liquid. We suggest an alternative procedure, for many properties, based on counting the passage of particles through a notional plane in the liquid. 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| fulltext | fulltext |
| identifier | ISSN: 1364-5021 |
| ispartof | Proceedings of the Royal Society. A, Mathematical and physical sciences, 1994-09, Vol.446 (1928), p.429-439 |
| issn | 1364-5021 0962-8444 1471-2946 2053-9177 |
| language | eng |
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| source | Jstor Complete Legacy; JSTOR Mathematics and Statistics |
| subjects | Approximation Atoms Autocorrelation Classical and quantum physics: mechanics and fields Classical mechanics of continuous media: general mathematical aspects Computational methods in fluid dynamics Computer simulation Correlation methods Cubes Density Density (specific gravity) Diffusion Energy Exact sciences and technology Fluid mechanics: general mathematical aspects Liquids Mathematical methods in physics Numerical approximation and analysis Numerical simulation, solution of equations Particle interactions Particles (particulate matter) Physical properties Physics Temperature measurement Thermodynamic equilibrium |
| title | Measuring the Properties of Liquids by Counting |
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