A CALPHAD Assessment of the Silver Halide–Silver Sulfate Binary Phase Diagrams
The phase diagrams of the AgCl–Ag 2 SO 4 and AgBr–Ag 2 SO 4 binary systems based on phase equilibria and thermochemical data were evaluated and optimized via the CALPHAD method. Gibbs free energy of liquid phases were described using the substitutional solution model. The compound Ag 9 Cl(SO 4 ) 4 w...
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| Veröffentlicht in: | Russian Journal of Physical Chemistry A 2021-04, Vol.95 (Suppl 1), p.S8-S14 |
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| container_end_page | S14 |
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| container_issue | Suppl 1 |
| container_start_page | S8 |
| container_title | Russian Journal of Physical Chemistry A |
| container_volume | 95 |
| creator | Wang, Yang Lei, Qi Li, Xiang Fei, Zejie Xie, Leidong Tang, Zhongfeng |
| description | The phase diagrams of the AgCl–Ag
2
SO
4
and AgBr–Ag
2
SO
4
binary systems based on phase equilibria and thermochemical data were evaluated and optimized via the CALPHAD method. Gibbs free energy of liquid phases were described using the substitutional solution model. The compound Ag
9
Cl(SO
4
)
4
was supposed to be stoichiometric, of which the Gibbs free energy comply with the Neumann–Kopp rule. Self-consistent database with all model parameters were established, and thermodynamic properties (activity) of liquid phase were also calculated for the whole range of compositions according to the Redlich–Kister and Kohler–Toop extrapolation technique, respectively. Results indicate that the calculated data are in excellent agreement with the experimental values reported in the present work. The calculated results involving multi-component systems will be applied to design and prepare composite materials with high ionic conductivity. |
| doi_str_mv | 10.1134/S0036024421140247 |
| format | Article |
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2
SO
4
and AgBr–Ag
2
SO
4
binary systems based on phase equilibria and thermochemical data were evaluated and optimized via the CALPHAD method. Gibbs free energy of liquid phases were described using the substitutional solution model. The compound Ag
9
Cl(SO
4
)
4
was supposed to be stoichiometric, of which the Gibbs free energy comply with the Neumann–Kopp rule. Self-consistent database with all model parameters were established, and thermodynamic properties (activity) of liquid phase were also calculated for the whole range of compositions according to the Redlich–Kister and Kohler–Toop extrapolation technique, respectively. Results indicate that the calculated data are in excellent agreement with the experimental values reported in the present work. The calculated results involving multi-component systems will be applied to design and prepare composite materials with high ionic conductivity.</description><identifier>ISSN: 0036-0244</identifier><identifier>EISSN: 1531-863X</identifier><identifier>DOI: 10.1134/S0036024421140247</identifier><language>eng</language><publisher>Moscow: Pleiades Publishing</publisher><subject>Binary systems ; Chemical Thermodynamics and Thermochemistry ; Chemistry ; Chemistry and Materials Science ; Composite materials ; Gibbs free energy ; Ion currents ; Liquid phases ; Mathematical models ; Phase diagrams ; Phase equilibria ; Physical Chemistry ; Silver chloride ; Thermodynamic properties</subject><ispartof>Russian Journal of Physical Chemistry A, 2021-04, Vol.95 (Suppl 1), p.S8-S14</ispartof><rights>Pleiades Publishing, Ltd. 2021. ISSN 0036-0244, Russian Journal of Physical Chemistry A, 2021, Vol. 95, Suppl. 1, pp. S8–S14. © Pleiades Publishing, Ltd., 2021.</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><cites>FETCH-LOGICAL-c268t-4471a76ab82bb4d4eb71d952a454644e5c94135a8218e597f2aa0a2cfd19cf643</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktopdf>$$Uhttps://link.springer.com/content/pdf/10.1134/S0036024421140247$$EPDF$$P50$$Gspringer$$H</linktopdf><linktohtml>$$Uhttps://link.springer.com/10.1134/S0036024421140247$$EHTML$$P50$$Gspringer$$H</linktohtml><link.rule.ids>314,780,784,27924,27925,41488,42557,51319</link.rule.ids></links><search><creatorcontrib>Wang, Yang</creatorcontrib><creatorcontrib>Lei, Qi</creatorcontrib><creatorcontrib>Li, Xiang</creatorcontrib><creatorcontrib>Fei, Zejie</creatorcontrib><creatorcontrib>Xie, Leidong</creatorcontrib><creatorcontrib>Tang, Zhongfeng</creatorcontrib><title>A CALPHAD Assessment of the Silver Halide–Silver Sulfate Binary Phase Diagrams</title><title>Russian Journal of Physical Chemistry A</title><addtitle>Russ. J. Phys. Chem</addtitle><description>The phase diagrams of the AgCl–Ag
2
SO
4
and AgBr–Ag
2
SO
4
binary systems based on phase equilibria and thermochemical data were evaluated and optimized via the CALPHAD method. Gibbs free energy of liquid phases were described using the substitutional solution model. The compound Ag
9
Cl(SO
4
)
4
was supposed to be stoichiometric, of which the Gibbs free energy comply with the Neumann–Kopp rule. Self-consistent database with all model parameters were established, and thermodynamic properties (activity) of liquid phase were also calculated for the whole range of compositions according to the Redlich–Kister and Kohler–Toop extrapolation technique, respectively. Results indicate that the calculated data are in excellent agreement with the experimental values reported in the present work. The calculated results involving multi-component systems will be applied to design and prepare composite materials with high ionic conductivity.</description><subject>Binary systems</subject><subject>Chemical Thermodynamics and Thermochemistry</subject><subject>Chemistry</subject><subject>Chemistry and Materials Science</subject><subject>Composite materials</subject><subject>Gibbs free energy</subject><subject>Ion currents</subject><subject>Liquid phases</subject><subject>Mathematical models</subject><subject>Phase diagrams</subject><subject>Phase equilibria</subject><subject>Physical Chemistry</subject><subject>Silver chloride</subject><subject>Thermodynamic properties</subject><issn>0036-0244</issn><issn>1531-863X</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2021</creationdate><recordtype>article</recordtype><recordid>eNp1UMtKw0AUHUTBWv0AdwOuo3Mnd_JYxlatULBQBXdhktxpU9KkzqSCO__BP_RLnNKCC3F1uJzX5TB2CeIaIMSbuRBhJCSiBECP8REbgAohSKLw9ZgNdnSw40_ZmXMrIRARcMBmGR9l09kkG_PMOXJuTW3PO8P7JfF53byT5RPd1BV9f34d7vm2Mbonflu32n7w2VI74uNaL6xeu3N2YnTj6OKAQ_Zyf_c8mgTTp4dHXxWUMkr6ADEGHUe6SGRRYIVUxFClSmpUGCGSKlOEUOlEQkIqjY3UWmhZmgrS0kQYDtnVPndju7ctuT5fdVvb-spcKplgjEopr4K9qrSdc5ZMvrH12n-dg8h3w-V_hvMeufc4r20XZH-T_zf9AGSFbes</recordid><startdate>20210401</startdate><enddate>20210401</enddate><creator>Wang, Yang</creator><creator>Lei, Qi</creator><creator>Li, Xiang</creator><creator>Fei, Zejie</creator><creator>Xie, Leidong</creator><creator>Tang, Zhongfeng</creator><general>Pleiades Publishing</general><general>Springer Nature B.V</general><scope>AAYXX</scope><scope>CITATION</scope></search><sort><creationdate>20210401</creationdate><title>A CALPHAD Assessment of the Silver Halide–Silver Sulfate Binary Phase Diagrams</title><author>Wang, Yang ; Lei, Qi ; Li, Xiang ; Fei, Zejie ; Xie, Leidong ; Tang, Zhongfeng</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c268t-4471a76ab82bb4d4eb71d952a454644e5c94135a8218e597f2aa0a2cfd19cf643</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2021</creationdate><topic>Binary systems</topic><topic>Chemical Thermodynamics and Thermochemistry</topic><topic>Chemistry</topic><topic>Chemistry and Materials Science</topic><topic>Composite materials</topic><topic>Gibbs free energy</topic><topic>Ion currents</topic><topic>Liquid phases</topic><topic>Mathematical models</topic><topic>Phase diagrams</topic><topic>Phase equilibria</topic><topic>Physical Chemistry</topic><topic>Silver chloride</topic><topic>Thermodynamic properties</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Wang, Yang</creatorcontrib><creatorcontrib>Lei, Qi</creatorcontrib><creatorcontrib>Li, Xiang</creatorcontrib><creatorcontrib>Fei, Zejie</creatorcontrib><creatorcontrib>Xie, Leidong</creatorcontrib><creatorcontrib>Tang, Zhongfeng</creatorcontrib><collection>CrossRef</collection><jtitle>Russian Journal of Physical Chemistry A</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Wang, Yang</au><au>Lei, Qi</au><au>Li, Xiang</au><au>Fei, Zejie</au><au>Xie, Leidong</au><au>Tang, Zhongfeng</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>A CALPHAD Assessment of the Silver Halide–Silver Sulfate Binary Phase Diagrams</atitle><jtitle>Russian Journal of Physical Chemistry A</jtitle><stitle>Russ. J. Phys. Chem</stitle><date>2021-04-01</date><risdate>2021</risdate><volume>95</volume><issue>Suppl 1</issue><spage>S8</spage><epage>S14</epage><pages>S8-S14</pages><issn>0036-0244</issn><eissn>1531-863X</eissn><abstract>The phase diagrams of the AgCl–Ag
2
SO
4
and AgBr–Ag
2
SO
4
binary systems based on phase equilibria and thermochemical data were evaluated and optimized via the CALPHAD method. Gibbs free energy of liquid phases were described using the substitutional solution model. The compound Ag
9
Cl(SO
4
)
4
was supposed to be stoichiometric, of which the Gibbs free energy comply with the Neumann–Kopp rule. Self-consistent database with all model parameters were established, and thermodynamic properties (activity) of liquid phase were also calculated for the whole range of compositions according to the Redlich–Kister and Kohler–Toop extrapolation technique, respectively. Results indicate that the calculated data are in excellent agreement with the experimental values reported in the present work. The calculated results involving multi-component systems will be applied to design and prepare composite materials with high ionic conductivity.</abstract><cop>Moscow</cop><pub>Pleiades Publishing</pub><doi>10.1134/S0036024421140247</doi></addata></record> |
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| language | eng |
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| source | SpringerNature Journals |
| subjects | Binary systems Chemical Thermodynamics and Thermochemistry Chemistry Chemistry and Materials Science Composite materials Gibbs free energy Ion currents Liquid phases Mathematical models Phase diagrams Phase equilibria Physical Chemistry Silver chloride Thermodynamic properties |
| title | A CALPHAD Assessment of the Silver Halide–Silver Sulfate Binary Phase Diagrams |
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