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Role of partial molar enthalpy of oxides on Soret effect in high-temperature CaO–SiO(2) melts

The Soret effect or thermodiffusion is the temperature-gradient driven diffusion in a multicomponent system. Two important conclusions have been obtained for the Soret effect in multicomponent silicate melts: first, the SiO(2) component concentrates in the hot region; and second, heavier isotopes co...

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Autores principales: Shimizu, Masahiro, Matsuoka, Jun, Kato, Hiroshi, Kato, Takeyuki, Nishi, Masayuki, Visbal, Heidy, Nagashima, Kohji, Sakakura, Masaaki, Shimotsuma, Yasuhiko, Itasaka, Hiroki, Hirao, Kazuyuki, Miura, Kiyotaka
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2018
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6195551/
https://www.ncbi.nlm.nih.gov/pubmed/30341314
http://dx.doi.org/10.1038/s41598-018-33882-1
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author Shimizu, Masahiro
Matsuoka, Jun
Kato, Hiroshi
Kato, Takeyuki
Nishi, Masayuki
Visbal, Heidy
Nagashima, Kohji
Sakakura, Masaaki
Shimotsuma, Yasuhiko
Itasaka, Hiroki
Hirao, Kazuyuki
Miura, Kiyotaka
author_facet Shimizu, Masahiro
Matsuoka, Jun
Kato, Hiroshi
Kato, Takeyuki
Nishi, Masayuki
Visbal, Heidy
Nagashima, Kohji
Sakakura, Masaaki
Shimotsuma, Yasuhiko
Itasaka, Hiroki
Hirao, Kazuyuki
Miura, Kiyotaka
author_sort Shimizu, Masahiro
collection PubMed
description The Soret effect or thermodiffusion is the temperature-gradient driven diffusion in a multicomponent system. Two important conclusions have been obtained for the Soret effect in multicomponent silicate melts: first, the SiO(2) component concentrates in the hot region; and second, heavier isotopes concentrate in the cold region more than lighter isotopes. For the second point, the isotope fractionation can be explained by the classical mechanical collisions between pairs of particles. However, as for the first point, no physical model has been reported to answer why the SiO(2) component concentrates in the hot region. We try to address this issue by simulating the composition dependence of the Soret effect in CaO–SiO(2) melts with nonequilibrium molecular dynamics and determining through a comparison of the results with those calculated from the Kempers model that partial molar enthalpy is one of the dominant factors in this phenomenon.
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spelling pubmed-61955512018-10-24 Role of partial molar enthalpy of oxides on Soret effect in high-temperature CaO–SiO(2) melts Shimizu, Masahiro Matsuoka, Jun Kato, Hiroshi Kato, Takeyuki Nishi, Masayuki Visbal, Heidy Nagashima, Kohji Sakakura, Masaaki Shimotsuma, Yasuhiko Itasaka, Hiroki Hirao, Kazuyuki Miura, Kiyotaka Sci Rep Article The Soret effect or thermodiffusion is the temperature-gradient driven diffusion in a multicomponent system. Two important conclusions have been obtained for the Soret effect in multicomponent silicate melts: first, the SiO(2) component concentrates in the hot region; and second, heavier isotopes concentrate in the cold region more than lighter isotopes. For the second point, the isotope fractionation can be explained by the classical mechanical collisions between pairs of particles. However, as for the first point, no physical model has been reported to answer why the SiO(2) component concentrates in the hot region. We try to address this issue by simulating the composition dependence of the Soret effect in CaO–SiO(2) melts with nonequilibrium molecular dynamics and determining through a comparison of the results with those calculated from the Kempers model that partial molar enthalpy is one of the dominant factors in this phenomenon. Nature Publishing Group UK 2018-10-19 /pmc/articles/PMC6195551/ /pubmed/30341314 http://dx.doi.org/10.1038/s41598-018-33882-1 Text en © The Author(s) 2018 Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/.
spellingShingle Article
Shimizu, Masahiro
Matsuoka, Jun
Kato, Hiroshi
Kato, Takeyuki
Nishi, Masayuki
Visbal, Heidy
Nagashima, Kohji
Sakakura, Masaaki
Shimotsuma, Yasuhiko
Itasaka, Hiroki
Hirao, Kazuyuki
Miura, Kiyotaka
Role of partial molar enthalpy of oxides on Soret effect in high-temperature CaO–SiO(2) melts
title Role of partial molar enthalpy of oxides on Soret effect in high-temperature CaO–SiO(2) melts
title_full Role of partial molar enthalpy of oxides on Soret effect in high-temperature CaO–SiO(2) melts
title_fullStr Role of partial molar enthalpy of oxides on Soret effect in high-temperature CaO–SiO(2) melts
title_full_unstemmed Role of partial molar enthalpy of oxides on Soret effect in high-temperature CaO–SiO(2) melts
title_short Role of partial molar enthalpy of oxides on Soret effect in high-temperature CaO–SiO(2) melts
title_sort role of partial molar enthalpy of oxides on soret effect in high-temperature cao–sio(2) melts
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6195551/
https://www.ncbi.nlm.nih.gov/pubmed/30341314
http://dx.doi.org/10.1038/s41598-018-33882-1
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