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| Format: | Artículo científico |
| Language: | en |
| Published: |
Sociedad Química de México
2008
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| Online Access: | https://www.redalyc.org/articulo.oa?id=47552113 |
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| _version_ | 1866811722023567360 |
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| author | José Alejandre |
| author_facet | José Alejandre |
| contents | Molecular Dynamics Simulations of the Solubility of H2S and CO2 in Water José Alejandre Roberto López Rendón Multidisciplinaria (Ciencias Naturales y Exactas) acid gases solubility Molecular dynamics simulations We have performed molecular dynamics simulations atconstant temperature and pressure to calculate the solubility of carbondioxide (CO2) and hydrogen sulfide (H2S) in water. The solubilityof gases in water is important in several technological problems, inparticular in the petroleum industry. The calculated liquid densitiesas function of temperature are in good agreement with experimentaldata. The results at the liquid-vapor equilibrium show that at lowtemperatures there is an important amount of gases at the interface.The adsorption of gases in the liquid phase decreases as temperaturesincreases. 2008 artículo científico 1870-249X https://www.redalyc.org/articulo.oa?id=47552113 en http://www.redalyc.org/revista.oa?id=475 Journal of the Mexican Chemical Society application/pdf Sociedad Química de México Journal of the Mexican Chemical Society (México) Num.1 Vol.52 |
| format | Artículo científico |
| id | redalyc_47552113 |
| language | en |
| publishDate | 2008 |
| publisher | Sociedad Química de México |
| spellingShingle | Molecular Dynamics Simulations of the Solubility of H2S and CO2 in Water José Alejandre Multidisciplinaria (Ciencias Naturales y Exactas) acid gases solubility Molecular dynamics simulations Molecular Dynamics Simulations of the Solubility of H2S and CO2 in Water José Alejandre Roberto López Rendón Multidisciplinaria (Ciencias Naturales y Exactas) acid gases solubility Molecular dynamics simulations We have performed molecular dynamics simulations atconstant temperature and pressure to calculate the solubility of carbondioxide (CO2) and hydrogen sulfide (H2S) in water. The solubilityof gases in water is important in several technological problems, inparticular in the petroleum industry. The calculated liquid densitiesas function of temperature are in good agreement with experimentaldata. The results at the liquid-vapor equilibrium show that at lowtemperatures there is an important amount of gases at the interface.The adsorption of gases in the liquid phase decreases as temperaturesincreases. 2008 artículo científico 1870-249X https://www.redalyc.org/articulo.oa?id=47552113 en http://www.redalyc.org/revista.oa?id=475 Journal of the Mexican Chemical Society application/pdf Sociedad Química de México Journal of the Mexican Chemical Society (México) Num.1 Vol.52 |
| title | Molecular Dynamics Simulations of the Solubility of H2S and CO2 in Water |
| topic | Multidisciplinaria (Ciencias Naturales y Exactas) acid gases solubility Molecular dynamics simulations |
| url | https://www.redalyc.org/articulo.oa?id=47552113 |