Role of mixing thermodynamic properties on the Soret effect
We demonstrate that the modified Kempers model, a recently developed theoretical model for the Soret effect in oxide melts, is applicable for predicting the composition dependence of the Soret coefficient in three binary molecular liquids with negative enthalpies of mixing. We compared the theoretic...
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| Veröffentlicht in: | The Journal of chemical physics 2022-11, Vol.157 (17), p.174501-174501 |
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| container_title | The Journal of chemical physics |
| container_volume | 157 |
| creator | Kiyosawa, Tomohiro Shimizu, Masahiro Matsuoka, Jun Nakashima, Kento Sato, Kenzo Nishi, Masayuki Shimotsuma, Yasuhiko Miura, Kiyotaka |
| description | We demonstrate that the modified Kempers model, a recently developed theoretical model for the Soret effect in oxide melts, is applicable for predicting the composition dependence of the Soret coefficient in three binary molecular liquids with negative enthalpies of mixing. We compared the theoretical and experimental values for water/ethanol, water/methanol, water/ethylene glycol, water/acetone, and benzene/n-heptane mixtures. In water/ethanol, water/methanol, and water/ethylene glycol, which have negative enthalpies of mixing across the entire mole fraction range, the modified Kempers model successfully predicts the sign change of the Soret coefficient with high accuracy, whereas, in water/acetone and benzene/n-heptane, which have composition ranges with positive enthalpies of mixing, it cannot predict the sign change of the Soret coefficient. These results suggest that the model is applicable in composition ranges with negative enthalpies of mixing and provides a framework for predicting and understanding the Soret effect from the equilibrium thermodynamic properties of mixing, such as the partial molar volume, partial molar enthalpy of mixing, and chemical potential. |
| doi_str_mv | 10.1063/5.0122015 |
| format | Article |
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We compared the theoretical and experimental values for water/ethanol, water/methanol, water/ethylene glycol, water/acetone, and benzene/n-heptane mixtures. In water/ethanol, water/methanol, and water/ethylene glycol, which have negative enthalpies of mixing across the entire mole fraction range, the modified Kempers model successfully predicts the sign change of the Soret coefficient with high accuracy, whereas, in water/acetone and benzene/n-heptane, which have composition ranges with positive enthalpies of mixing, it cannot predict the sign change of the Soret coefficient. These results suggest that the model is applicable in composition ranges with negative enthalpies of mixing and provides a framework for predicting and understanding the Soret effect from the equilibrium thermodynamic properties of mixing, such as the partial molar volume, partial molar enthalpy of mixing, and chemical potential.</description><identifier>ISSN: 0021-9606</identifier><identifier>EISSN: 1089-7690</identifier><identifier>DOI: 10.1063/5.0122015</identifier><identifier>CODEN: JCPSA6</identifier><language>eng</language><publisher>Melville: American Institute of Physics</publisher><subject>Acetone ; Benzene ; Chemical potential ; Composition ; Enthalpy ; Ethanol ; Ethylene glycol ; Heptanes ; Hydrocarbons ; Methanol ; Molar volume ; Soret coefficient ; Thermodynamic equilibrium ; Thermodynamic properties ; Thermodynamics</subject><ispartof>The Journal of chemical physics, 2022-11, Vol.157 (17), p.174501-174501</ispartof><rights>Author(s)</rights><rights>2022 Author(s). Published under an exclusive license by AIP Publishing.</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c426t-e697f8ddb164b9e7cae022b10a243f5e5f6c01b714eb6b7f0786a371842bd54b3</citedby><cites>FETCH-LOGICAL-c426t-e697f8ddb164b9e7cae022b10a243f5e5f6c01b714eb6b7f0786a371842bd54b3</cites><orcidid>0000-0002-9948-891X ; 0000-0003-0588-3167</orcidid></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktohtml>$$Uhttps://pubs.aip.org/jcp/article-lookup/doi/10.1063/5.0122015$$EHTML$$P50$$Gscitation$$H</linktohtml><link.rule.ids>314,776,780,790,4498,27901,27902,76127</link.rule.ids></links><search><creatorcontrib>Kiyosawa, Tomohiro</creatorcontrib><creatorcontrib>Shimizu, Masahiro</creatorcontrib><creatorcontrib>Matsuoka, Jun</creatorcontrib><creatorcontrib>Nakashima, Kento</creatorcontrib><creatorcontrib>Sato, Kenzo</creatorcontrib><creatorcontrib>Nishi, Masayuki</creatorcontrib><creatorcontrib>Shimotsuma, Yasuhiko</creatorcontrib><creatorcontrib>Miura, Kiyotaka</creatorcontrib><title>Role of mixing thermodynamic properties on the Soret effect</title><title>The Journal of chemical physics</title><description>We demonstrate that the modified Kempers model, a recently developed theoretical model for the Soret effect in oxide melts, is applicable for predicting the composition dependence of the Soret coefficient in three binary molecular liquids with negative enthalpies of mixing. We compared the theoretical and experimental values for water/ethanol, water/methanol, water/ethylene glycol, water/acetone, and benzene/n-heptane mixtures. In water/ethanol, water/methanol, and water/ethylene glycol, which have negative enthalpies of mixing across the entire mole fraction range, the modified Kempers model successfully predicts the sign change of the Soret coefficient with high accuracy, whereas, in water/acetone and benzene/n-heptane, which have composition ranges with positive enthalpies of mixing, it cannot predict the sign change of the Soret coefficient. These results suggest that the model is applicable in composition ranges with negative enthalpies of mixing and provides a framework for predicting and understanding the Soret effect from the equilibrium thermodynamic properties of mixing, such as the partial molar volume, partial molar enthalpy of mixing, and chemical potential.</description><subject>Acetone</subject><subject>Benzene</subject><subject>Chemical potential</subject><subject>Composition</subject><subject>Enthalpy</subject><subject>Ethanol</subject><subject>Ethylene glycol</subject><subject>Heptanes</subject><subject>Hydrocarbons</subject><subject>Methanol</subject><subject>Molar volume</subject><subject>Soret coefficient</subject><subject>Thermodynamic equilibrium</subject><subject>Thermodynamic properties</subject><subject>Thermodynamics</subject><issn>0021-9606</issn><issn>1089-7690</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2022</creationdate><recordtype>article</recordtype><recordid>eNp90EtLxDAUBeAgCo6jC_9BwY0KHW_SNGlxJYMvGBB8rEPT3miGtqlJR5x_b8sMCgqu7uJ-HA6HkGMKMwoiuUhnQBkDmu6QCYUsj6XIYZdMABiNcwFinxyEsAQAKhmfkMtHV2PkTNTYT9u-Rv0b-sZV67ZobBl13nXoe4shcu34i56cxz5CY7DsD8meKeqAR9s7JS8318_zu3jxcHs_v1rEJWeij1Hk0mRVpangOkdZFgiMaQoF44lJMTWiBKol5aiFlgZkJopE0owzXaVcJ1Nyuskd6ryvMPSqsaHEui5adKugmEy4oBJoNtCTX3TpVr4d2o0KMpElclRnG1V6F4JHozpvm8KvFQU1zqhStZ1xsOcbG0rbF7117Tf-cP4Hqq4y_-G_yV_N8X7a</recordid><startdate>20221107</startdate><enddate>20221107</enddate><creator>Kiyosawa, Tomohiro</creator><creator>Shimizu, Masahiro</creator><creator>Matsuoka, Jun</creator><creator>Nakashima, Kento</creator><creator>Sato, Kenzo</creator><creator>Nishi, Masayuki</creator><creator>Shimotsuma, Yasuhiko</creator><creator>Miura, Kiyotaka</creator><general>American Institute of Physics</general><scope>AAYXX</scope><scope>CITATION</scope><scope>8FD</scope><scope>H8D</scope><scope>L7M</scope><scope>7X8</scope><orcidid>https://orcid.org/0000-0002-9948-891X</orcidid><orcidid>https://orcid.org/0000-0003-0588-3167</orcidid></search><sort><creationdate>20221107</creationdate><title>Role of mixing thermodynamic properties on the Soret effect</title><author>Kiyosawa, Tomohiro ; Shimizu, Masahiro ; Matsuoka, Jun ; Nakashima, Kento ; Sato, Kenzo ; Nishi, Masayuki ; Shimotsuma, Yasuhiko ; Miura, Kiyotaka</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c426t-e697f8ddb164b9e7cae022b10a243f5e5f6c01b714eb6b7f0786a371842bd54b3</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2022</creationdate><topic>Acetone</topic><topic>Benzene</topic><topic>Chemical potential</topic><topic>Composition</topic><topic>Enthalpy</topic><topic>Ethanol</topic><topic>Ethylene glycol</topic><topic>Heptanes</topic><topic>Hydrocarbons</topic><topic>Methanol</topic><topic>Molar volume</topic><topic>Soret coefficient</topic><topic>Thermodynamic equilibrium</topic><topic>Thermodynamic properties</topic><topic>Thermodynamics</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Kiyosawa, Tomohiro</creatorcontrib><creatorcontrib>Shimizu, Masahiro</creatorcontrib><creatorcontrib>Matsuoka, Jun</creatorcontrib><creatorcontrib>Nakashima, Kento</creatorcontrib><creatorcontrib>Sato, Kenzo</creatorcontrib><creatorcontrib>Nishi, Masayuki</creatorcontrib><creatorcontrib>Shimotsuma, Yasuhiko</creatorcontrib><creatorcontrib>Miura, Kiyotaka</creatorcontrib><collection>CrossRef</collection><collection>Technology Research Database</collection><collection>Aerospace Database</collection><collection>Advanced Technologies Database with Aerospace</collection><collection>MEDLINE - Academic</collection><jtitle>The Journal of chemical physics</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Kiyosawa, Tomohiro</au><au>Shimizu, Masahiro</au><au>Matsuoka, Jun</au><au>Nakashima, Kento</au><au>Sato, Kenzo</au><au>Nishi, Masayuki</au><au>Shimotsuma, Yasuhiko</au><au>Miura, Kiyotaka</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Role of mixing thermodynamic properties on the Soret effect</atitle><jtitle>The Journal of chemical physics</jtitle><date>2022-11-07</date><risdate>2022</risdate><volume>157</volume><issue>17</issue><spage>174501</spage><epage>174501</epage><pages>174501-174501</pages><issn>0021-9606</issn><eissn>1089-7690</eissn><coden>JCPSA6</coden><abstract>We demonstrate that the modified Kempers model, a recently developed theoretical model for the Soret effect in oxide melts, is applicable for predicting the composition dependence of the Soret coefficient in three binary molecular liquids with negative enthalpies of mixing. We compared the theoretical and experimental values for water/ethanol, water/methanol, water/ethylene glycol, water/acetone, and benzene/n-heptane mixtures. In water/ethanol, water/methanol, and water/ethylene glycol, which have negative enthalpies of mixing across the entire mole fraction range, the modified Kempers model successfully predicts the sign change of the Soret coefficient with high accuracy, whereas, in water/acetone and benzene/n-heptane, which have composition ranges with positive enthalpies of mixing, it cannot predict the sign change of the Soret coefficient. These results suggest that the model is applicable in composition ranges with negative enthalpies of mixing and provides a framework for predicting and understanding the Soret effect from the equilibrium thermodynamic properties of mixing, such as the partial molar volume, partial molar enthalpy of mixing, and chemical potential.</abstract><cop>Melville</cop><pub>American Institute of Physics</pub><doi>10.1063/5.0122015</doi><tpages>7</tpages><orcidid>https://orcid.org/0000-0002-9948-891X</orcidid><orcidid>https://orcid.org/0000-0003-0588-3167</orcidid></addata></record> |
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| ispartof | The Journal of chemical physics, 2022-11, Vol.157 (17), p.174501-174501 |
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| language | eng |
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| source | AIP Journals Complete; Alma/SFX Local Collection |
| subjects | Acetone Benzene Chemical potential Composition Enthalpy Ethanol Ethylene glycol Heptanes Hydrocarbons Methanol Molar volume Soret coefficient Thermodynamic equilibrium Thermodynamic properties Thermodynamics |
| title | Role of mixing thermodynamic properties on the Soret effect |
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