{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,7,30]],"date-time":"2025-07-30T11:20:26Z","timestamp":1753874426770,"version":"3.41.2"},"reference-count":55,"publisher":"AIP Publishing","issue":"17","funder":[{"DOI":"10.13039\/501100000646","name":"Japan Society for the Promotion of Science London","doi-asserted-by":"publisher","award":["20K05089"],"award-info":[{"award-number":["20K05089"]}],"id":[{"id":"10.13039\/501100000646","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["pubs.aip.org"],"crossmark-restriction":true},"short-container-title":[],"published-print":{"date-parts":[[2022,11,7]]},"abstract":"<jats:p>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\u00a0change 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\u00a0change 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.<\/jats:p>","DOI":"10.1063\/5.0122015","type":"journal-article","created":{"date-parts":[[2022,10,13]],"date-time":"2022-10-13T17:05:32Z","timestamp":1665680732000},"update-policy":"https:\/\/doi.org\/10.1063\/aip-crossmark-policy-page","source":"Crossref","is-referenced-by-count":2,"title":["Role of mixing thermodynamic properties on the Soret effect"],"prefix":"10.1063","volume":"157","author":[{"given":"Tomohiro","family":"Kiyosawa","sequence":"first","affiliation":[{"name":"Department of Material Chemistry, Graduate School of Engineering, Kyoto University 1 , Katsura, Nishikyo-ku, Kyoto 615-8510, Japan"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-9948-891X","authenticated-orcid":false,"given":"Masahiro","family":"Shimizu","sequence":"additional","affiliation":[{"name":"Department of Material Chemistry, Graduate School of Engineering, Kyoto University 1 , Katsura, Nishikyo-ku, Kyoto 615-8510, Japan"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Jun","family":"Matsuoka","sequence":"additional","affiliation":[{"name":"School of Engineering, The University of Shiga Prefecture 2 , Hikone 522-8533, Japan"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Kento","family":"Nakashima","sequence":"additional","affiliation":[{"name":"Department of Material Chemistry, Graduate School of Engineering, Kyoto University 1 , Katsura, Nishikyo-ku, Kyoto 615-8510, Japan"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Kenzo","family":"Sato","sequence":"additional","affiliation":[{"name":"Department of Material Chemistry, Graduate School of Engineering, Kyoto University 1 , Katsura, Nishikyo-ku, Kyoto 615-8510, Japan"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Masayuki","family":"Nishi","sequence":"additional","affiliation":[{"name":"Department of Mechanical and Electrical System Engineering, Faculty of Engineering, Kyoto University of Advanced Science 3 , Kyoto 615-8577, Japan"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-0588-3167","authenticated-orcid":false,"given":"Yasuhiko","family":"Shimotsuma","sequence":"additional","affiliation":[{"name":"Department of Material Chemistry, Graduate School of Engineering, Kyoto University 1 , Katsura, Nishikyo-ku, Kyoto 615-8510, Japan"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Kiyotaka","family":"Miura","sequence":"additional","affiliation":[{"name":"Department of Material Chemistry, Graduate School of Engineering, Kyoto University 1 , Katsura, Nishikyo-ku, Kyoto 615-8510, Japan"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"317","published-online":{"date-parts":[[2022,11,1]]},"reference":[{"key":"2023081006552990100_c1","first-page":"539","article-title":"Diffusion awischen ungleich erw\u00e4rmten Orten gleich zusammengesetzter L\u00f6sungen","volume":"20","year":"1856","journal-title":"Sitz. Math. Naturwiss. Classe Kaiserichen. Akad. Wiss."},{"key":"2023081006552990100_c2","first-page":"48","article-title":"Sur I\u2019\u00e9tat d\u2019\u00e9quilibre que prend au point de vue de sa concentration une dissolution saline primitivement homoh\u00e9ne don\u2019t deux parties sont port\u00e9es \u00e0 des temperatures differentes","volume":"2","year":"1879","journal-title":"Arch. Sci. Phys. Nat."},{"key":"2023081006552990100_c3","doi-asserted-by":"publisher","first-page":"061201","DOI":"10.1103\/PhysRevE.80.061201","article-title":"Microscopic study and modeling of thermodiffusion in binary associating mixtures","volume":"80","year":"2009","journal-title":"Phys. Rev. E"},{"key":"2023081006552990100_c4","doi-asserted-by":"publisher","first-page":"174503","DOI":"10.1063\/1.4934634","article-title":"Isotopic Soret effect in ternary mixtures: Theoretical predictions and molecular simulations","volume":"143","year":"2015","journal-title":"J. Chem. Phys."},{"key":"2023081006552990100_c5","doi-asserted-by":"publisher","first-page":"337","DOI":"10.1515\/jnetdy.2005.024","article-title":"Accuracy of the theoretical calculation of the Soret coefficient for water\u2013ethanol mixtures in comparison with experimental data","volume":"30","year":"2005","journal-title":"J. Non-Equilb. Thermodyn."},{"key":"2023081006552990100_c6","first-page":"149","volume-title":"The Mathematical Theory of Non-Uniform Gases","year":"1970","edition":"3rd ed."},{"key":"2023081006552990100_c7","doi-asserted-by":"publisher","first-page":"97","DOI":"10.1515\/jnetdy.2009.007","article-title":"A critical review of thermodiffusion models: Role and significance of the heat of transport and the activation energy of viscous flow","volume":"34","year":"2009","journal-title":"J. Non-Equilib. Thermodyn."},{"key":"2023081006552990100_c8","doi-asserted-by":"publisher","first-page":"151","DOI":"10.1515\/jnet-2016-0024","article-title":"The Soret effect in liquid mixtures\u2014A review","volume":"41","year":"2016","journal-title":"J. Non-Equilib. Thermodyn."},{"key":"2023081006552990100_c9","doi-asserted-by":"publisher","first-page":"295","DOI":"10.1063\/1.1741957","article-title":"A theory of thermal diffusion in liquids","volume":"23","year":"1955","journal-title":"J. Chem. Phys."},{"key":"2023081006552990100_c10","doi-asserted-by":"publisher","first-page":"443","DOI":"10.1021\/j150527a016","article-title":"Thermal diffusion and molecular motion in liquids","volume":"59","year":"1955","journal-title":"J. Phys. Chem."},{"key":"2023081006552990100_c11","doi-asserted-by":"publisher","first-page":"3331","DOI":"10.1021\/ie970896p","article-title":"A new model of thermal diffusion coefficients in binary hydrocarbon mixtures","volume":"37","year":"1998","journal-title":"Ind. Eng. Chem. Res."},{"key":"2023081006552990100_c12","doi-asserted-by":"publisher","first-page":"892","DOI":"10.1002\/aic.690460504","article-title":"Theoretical model of thermal diffusion factors in multicomponent mixtures","volume":"46","year":"2000","journal-title":"AIChE J."},{"key":"2023081006552990100_c13","doi-asserted-by":"publisher","first-page":"6541","DOI":"10.1063\/1.456321","article-title":"A thermodynamic theory of the Soret effect in a multicomponent liquid","volume":"90","year":"1989","journal-title":"J. Chem. Phys."},{"key":"2023081006552990100_c14","doi-asserted-by":"publisher","first-page":"6330","DOI":"10.1063\/1.1398315","article-title":"A comprehensive thermodynamic theory of the Soret effect in a multicomponent gas, liquid, or solid","volume":"115","year":"2001","journal-title":"J. Chem. Phys."},{"key":"2023081006552990100_c15","doi-asserted-by":"publisher","first-page":"10963-10969","DOI":"10.1021\/ja800817f","article-title":"A new model for thermal diffusion: Kinetic approach","volume":"130","year":"2008","journal-title":"J. Am. Chem. Soc."},{"key":"2023081006552990100_c16","doi-asserted-by":"publisher","first-page":"577","DOI":"10.1016\/0031-8914(50)90103-0","article-title":"Recherches sur la thermodiffusion en phase liquid","volume":"16","year":"1950","journal-title":"Physica"},{"key":"2023081006552990100_c17","doi-asserted-by":"publisher","first-page":"065901","DOI":"10.1103\/PhysRevLett.109.065901","article-title":"Thermophobicity of liquids: Heats of transport in mixtures as pure component properties","volume":"109","year":"2012","journal-title":"Phys. Rev. Lett."},{"key":"2023081006552990100_c18","doi-asserted-by":"publisher","first-page":"031204","DOI":"10.1103\/PhysRevE.79.031204","article-title":"Soret effect in molecular mixtures","volume":"79","year":"2009","journal-title":"Phys. Rev. E"},{"first-page":"991","article-title":"Soret separation of lunar liquid","year":"1981","key":"2023081006552990100_c19"},{"key":"2023081006552990100_c20","doi-asserted-by":"publisher","first-page":"231","DOI":"10.1007\/bf00371514","article-title":"Soret separation of mid-ocean ridge basalt magma","volume":"79","year":"1982","journal-title":"Contrib. Mineral. Petrol."},{"key":"2023081006552990100_c21","doi-asserted-by":"publisher","first-page":"1397","DOI":"10.1016\/0016-7037(86)90313-3","article-title":"Solution properties of silicate liquids from thermal diffusion experiments","volume":"50","year":"1986","journal-title":"Geochim. Cosmochim. Acta"},{"key":"2023081006552990100_c22","doi-asserted-by":"publisher","first-page":"206","DOI":"10.1016\/j.gca.2007.10.016","article-title":"Magnesium isotope fractionation in silicate melts by chemical and thermal diffusion","volume":"72","year":"2008","journal-title":"Geochim. Cosmochim. Acta"},{"key":"2023081006552990100_c23","doi-asserted-by":"publisher","first-page":"92","DOI":"10.1016\/j.chemgeo.2008.06.011","article-title":"Non-traditional fractionation of non-traditional isotopes: Evaporation, chemical diffusion and Soret diffusion","volume":"258","year":"2009","journal-title":"Chem. Geol."},{"key":"2023081006552990100_c24","doi-asserted-by":"publisher","first-page":"396","DOI":"10.1038\/nature08840","article-title":"Isotope fractionation in silicate melts by thermal diffusion","volume":"464","year":"2010","journal-title":"Nature"},{"key":"2023081006552990100_c25","doi-asserted-by":"publisher","first-page":"70","DOI":"10.1038\/nature09911","article-title":"The Soret effect and isotopic fractionation in high-temperature silicate melts","volume":"473","year":"2011","journal-title":"Nature"},{"key":"2023081006552990100_c26","doi-asserted-by":"publisher","first-page":"065901","DOI":"10.1103\/PhysRevLett.108.065901","article-title":"Isotope fractionation by thermal diffusion in silicate melts","volume":"108","year":"2012","journal-title":"Phys. Rev. Lett."},{"key":"2023081006552990100_c27","doi-asserted-by":"publisher","first-page":"15489","DOI":"10.1038\/s41598-018-33882-1","article-title":"Role of partial molar enthalpy of oxides on Soret effect in high-temperature CaO\u2013SiO2 melts","volume":"8","year":"2018","journal-title":"Sci. Rep."},{"key":"2023081006552990100_c28","doi-asserted-by":"publisher","first-page":"074501","DOI":"10.1063\/5.0040513","article-title":"Determination of thermodynamic and microscopic origins of the Soret effect in sodium silicate melts: Prediction of sign\u00a0change of the Soret coefficient","volume":"154","year":"2021","journal-title":"J. Chem. Phys."},{"key":"2023081006552990100_c29","doi-asserted-by":"publisher","first-page":"214504","DOI":"10.1063\/5.0090939","article-title":"Composition-dependent sign\u00a0inversion of the Soret coefficient of SiO2 in binary borosilicate melts","volume":"156","year":"2022","journal-title":"J. Chem. Phys."},{"key":"2023081006552990100_c30","doi-asserted-by":"publisher","first-page":"42","DOI":"10.1140\/epje\/s10189-022-00197-z","article-title":"Predicting thermodiffusion in simple binary fluid mixtures","volume":"45","year":"2022","journal-title":"Eur. Phys. J. E"},{"key":"2023081006552990100_c31","doi-asserted-by":"publisher","first-page":"37","DOI":"10.1140\/epje\/s10189-022-00193-3","article-title":"Mass effects for thermodiffusion in dilute aqueous","volume":"45","year":"1998","journal-title":"Eur. Phys. J. E"},{"key":"2023081006552990100_c32","doi-asserted-by":"publisher","DOI":"10.1002\/adts.202200311","article-title":"Predicting and rationalizing the Soret coefficient of binary Lennard-Jones mixtures in the liquid state","year":"2022","journal-title":"Adv. Theory Simul."},{"first-page":"365","volume-title":"Thermodynamics of Irreversible Processes","year":"1969","key":"2023081006552990100_c33"},{"key":"2023081006552990100_c34","doi-asserted-by":"publisher","first-page":"563","DOI":"10.1007\/bf00502390","article-title":"Prediction of thermal diffusion in binary mixtures of nonelectrolyte liquids by the use of nonequilibrium thermodynamics","volume":"7","year":"1986","journal-title":"Int. J. Thermophys."},{"key":"2023081006552990100_c35","doi-asserted-by":"publisher","first-page":"660","DOI":"10.1021\/j150539a038","article-title":"Thermal diffusion in liquids: The effect of non-ideality and association","volume":"60","year":"1956","journal-title":"J. Phys. Chem."},{"key":"2023081006552990100_c36","first-page":"95","article-title":"The density and thermal expansion of ethyl alcohol and its mixtures with water","volume":"2","year":"1912","journal-title":"J. Wash. Acad. Sci."},{"key":"2023081006552990100_c37","doi-asserted-by":"publisher","first-page":"219","DOI":"10.1016\/0040-6031(89)85021-x","article-title":"Thermodynamic charactrization of the water + methanol system, at 298.15 K","volume":"142","year":"1989","journal-title":"Thermochim. Acta"},{"key":"2023081006552990100_c38","doi-asserted-by":"publisher","first-page":"1585","DOI":"10.1006\/jcht.2000.0679","article-title":"Measurement of densities and excess molar volumes for (1,2-ethanediol, or 1,2-propanediol, or 1,2-butanediol + water) at the temperatures (278.15, 288.15, 298.15, 308.15, and 318.15) K and for (2,3-butanediol + water) at the temperatures (308.15, 313.15, and 318.15) K","volume":"32","year":"2000","journal-title":"J. Chem. Thermodyn."},{"key":"2023081006552990100_c39","doi-asserted-by":"publisher","first-page":"216","DOI":"10.1021\/je60026a003","article-title":"Excess thermodynamic properties of aqueous alcohol solutions","volume":"10","year":"1965","journal-title":"J. Chem. Eng. Data"},{"key":"2023081006552990100_c40","doi-asserted-by":"publisher","first-page":"601","DOI":"10.1007\/bf00645974","article-title":"A comprehensive thermodynamic investigation of water-ethylene glyco! Mixtures at 5, 25, and 45\u2009oC","volume":"17","year":"1988","journal-title":"J. Solution Chem."},{"key":"2023081006552990100_c41","doi-asserted-by":"publisher","first-page":"364","DOI":"10.1016\/j.dib.2017.04.017","article-title":"Dataset of water activity measurements of alcohol:water solutions using a tunable diode laser","volume":"12","year":"2017","journal-title":"Data Brief"},{"key":"2023081006552990100_c42","doi-asserted-by":"publisher","first-page":"6881","DOI":"10.1063\/1.471355","article-title":"Optical measurement of the Soret coefficient and the diffusion coefficient of liquid mixtures","volume":"104","year":"1996","journal-title":"J. Chem. Phys."},{"key":"2023081006552990100_c43","doi-asserted-by":"publisher","first-page":"6512","DOI":"10.1063\/1.454436","article-title":"Optical measurement of the Soret coefficient of ethanol\/water solutions","volume":"88","year":"1988","journal-title":"J. Chem. Phys."},{"key":"2023081006552990100_c44","doi-asserted-by":"publisher","first-page":"3874","DOI":"10.1063\/1.1771631","article-title":"Sign change of the Soret coefficient of poly(ethylene oxide) in water\/ethanol mixtures observed by thermal diffusion forced Rayleigh scattering","volume":"121","year":"2004","journal-title":"J. Chem. Phys."},{"key":"2023081006552990100_c45","doi-asserted-by":"publisher","first-page":"94","DOI":"10.1140\/epje\/i2014-14094-1","article-title":"How does thermodiffusion of aqueous solutions depend on concentration and hydrophobicity?","volume":"37","year":"2014","journal-title":"Eur. Phys. J. E"},{"key":"2023081006552990100_c46","doi-asserted-by":"publisher","first-page":"499","DOI":"10.1021\/i560132a006","article-title":"Analysis data for the ternary system acetone-benzene-water","volume":"16","year":"1944","journal-title":"Ind. Eng. Chem."},{"key":"2023081006552990100_c47","doi-asserted-by":"publisher","first-page":"813","DOI":"10.1016\/0021-9614(70)90024-8","article-title":"Densities and excess volumes of mixtures of benzene with chlorobenzene, cyclohexene, n-hexane, n-heptane, and n-octane at 25\u2009\u00b0C","volume":"2","year":"1970","journal-title":"J. Chem. Thermodyn."},{"key":"2023081006552990100_c48","doi-asserted-by":"publisher","first-page":"219","DOI":"10.1016\/0040-6031(93)85032-5","article-title":"Thermodynamic properties of liquid mixtures. III. Acetone-water","volume":"66","year":"1983","journal-title":"Thermochim. Acta"},{"key":"2023081006552990100_c49","doi-asserted-by":"publisher","first-page":"805","DOI":"10.1016\/0021-9614(70)90023-6","article-title":"Vapour pressures and excess Gibbs energies of mixtures of benzene with chlorobenzene, n-hexane, and n-heptane at 25\u2009\u00b0C","volume":"2","year":"1970","journal-title":"J. Chem. Thermodyn."},{"key":"2023081006552990100_c50","doi-asserted-by":"publisher","first-page":"44","DOI":"10.1021\/i460003a010","article-title":"Correlation of vapor-liquid equilibrium data for acetone-water system","volume":"3","year":"1958","journal-title":"Ind. Eng. Chem."},{"key":"2023081006552990100_c51","first-page":"6881","article-title":"Experimental investigation of the Soret effect in acetone\/water and dimethylsulfoxide\/water mixtures","volume":"104","year":"1996","journal-title":"J. Chem. Phys."},{"key":"2023081006552990100_c52","doi-asserted-by":"publisher","first-page":"307","DOI":"10.1039\/j19710000307","article-title":"Thermal diffusion in the n-heptane-benzene system at 25\u2009\u00b0C","volume":"1971","journal-title":"J. Chem. Soc. A"},{"key":"2023081006552990100_c53","doi-asserted-by":"publisher","first-page":"3321","DOI":"10.1088\/0953-8984\/10\/15\/009","article-title":"Thermogravitational measurement of the Soret coefficient of liquid mixtures","volume":"10","year":"1998","journal-title":"J. Phys.: Condens. Matter"},{"key":"2023081006552990100_c54","doi-asserted-by":"publisher","first-page":"055901","DOI":"10.1103\/physrevlett.87.055901","article-title":"Molecular origin of thermal diffusion in benzene + cyclohexane mixture","volume":"87","year":"2001","journal-title":"Phys. Rev. Lett."},{"key":"2023081006552990100_c55","doi-asserted-by":"publisher","first-page":"251","DOI":"10.1515\/jnetdy.2007.017","article-title":"Mass effect on thermodiffusion using molecular dynamics","volume":"32","year":"2007","journal-title":"J. Non-Equilib. Thermodyn."}],"container-title":["The Journal of Chemical Physics"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.aip.org\/aip\/jcp\/article-pdf\/doi\/10.1063\/5.0122015\/16555533\/174501_1_online.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"syndication"},{"URL":"https:\/\/pubs.aip.org\/aip\/jcp\/article-pdf\/doi\/10.1063\/5.0122015\/16555533\/174501_1_online.pdf","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,8,10]],"date-time":"2023-08-10T09:10:19Z","timestamp":1691658619000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.aip.org\/jcp\/article\/157\/17\/174501\/2842296\/Role-of-mixing-thermodynamic-properties-on-the"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2022,11,1]]},"references-count":55,"journal-issue":{"issue":"17","published-print":{"date-parts":[[2022,11,7]]}},"URL":"https:\/\/doi.org\/10.1063\/5.0122015","relation":{},"ISSN":["0021-9606","1089-7690"],"issn-type":[{"type":"print","value":"0021-9606"},{"type":"electronic","value":"1089-7690"}],"subject":[],"published-other":{"date-parts":[[2022,11,7]]},"published":{"date-parts":[[2022,11,1]]},"article-number":"174501"}}