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Performance and Mechanism Study on Functionalized Phosphonium-Based Deep Eutectic Solvents for CO2 Absorption
In this work, a series of functionalized phosphonium-based deep eutectic solvents (DESs) were prepared, and the solubility of CO 2 in DESs was determined at temperatures from 303.15 K to 333.15 K and pressures from 200 to 2500 kPa. The experimental results show that the addition of carboxyl, hydroxy...
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| Published in: | International journal of thermophysics 2023-07, Vol.44 (7), Article 98 |
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| container_title | International journal of thermophysics |
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| creator | Cui, Yuanyuan Wang, Xiaokang Zhang, Xiaochun Chen, Songsong Liu, Yifan Zhang, Junping Dong, Li Shi, Lei Zhang, Xiangping |
| description | In this work, a series of functionalized phosphonium-based deep eutectic solvents (DESs) were prepared, and the solubility of CO
2
in DESs was determined at temperatures from 303.15 K to 333.15 K and pressures from 200 to 2500 kPa. The experimental results show that the addition of carboxyl, hydroxyl, or amino functional groups to the alkyl chain of phosphonium-based ionic liquid (IL) can improve the solubility of CO
2
in DESs. With the use of the nonrandom two-liquid (NRTL) model, the solubility data for the {CO
2
+ DESs} system were correlated, and the average relative deviation (ARD%) between the calculated and experimental values was less than 5%. The maximum absorption of CO
2
was shown by 1-carboxyethyltributylphosphonium bromide–diethylene glycol ([P
4,4,4,2
COOH][Br]-DEG), whose mole fraction of CO
2
was 0.5335 at 303.15 K and 2500 kPa. At the same time, [P
4,4,4,2
COOH][Br]-DEG can still maintain high-CO
2
absorption performance after five cycles of absorption and desorption, indicating that the DES had good cycle stability. In addition, the interaction energy between CO
2
and four DESs was determined by density functional theory (DFT), and the chemical bond and weak interaction were revealed by interaction region indicator (IRI), to clarify the absorption mechanism. |
| doi_str_mv | 10.1007/s10765-023-03207-0 |
| format | article |
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2
in DESs was determined at temperatures from 303.15 K to 333.15 K and pressures from 200 to 2500 kPa. The experimental results show that the addition of carboxyl, hydroxyl, or amino functional groups to the alkyl chain of phosphonium-based ionic liquid (IL) can improve the solubility of CO
2
in DESs. With the use of the nonrandom two-liquid (NRTL) model, the solubility data for the {CO
2
+ DESs} system were correlated, and the average relative deviation (ARD%) between the calculated and experimental values was less than 5%. The maximum absorption of CO
2
was shown by 1-carboxyethyltributylphosphonium bromide–diethylene glycol ([P
4,4,4,2
COOH][Br]-DEG), whose mole fraction of CO
2
was 0.5335 at 303.15 K and 2500 kPa. At the same time, [P
4,4,4,2
COOH][Br]-DEG can still maintain high-CO
2
absorption performance after five cycles of absorption and desorption, indicating that the DES had good cycle stability. In addition, the interaction energy between CO
2
and four DESs was determined by density functional theory (DFT), and the chemical bond and weak interaction were revealed by interaction region indicator (IRI), to clarify the absorption mechanism.</description><identifier>ISSN: 0195-928X</identifier><identifier>EISSN: 1572-9567</identifier><identifier>DOI: 10.1007/s10765-023-03207-0</identifier><language>eng</language><publisher>New York: Springer US</publisher><subject>Absorption ; Carbon dioxide ; Chemical bonds ; Classical Mechanics ; Condensed Matter Physics ; Density functional theory ; Functional groups ; Geophysics ; Industrial Chemistry/Chemical Engineering ; Ionic liquids ; Ions ; Physical Chemistry ; Physics ; Physics and Astronomy ; Solubility ; Solvents ; Thermodynamics</subject><ispartof>International journal of thermophysics, 2023-07, Vol.44 (7), Article 98</ispartof><rights>The Author(s), under exclusive licence to Springer Science+Business Media, LLC, part of Springer Nature 2023. Springer Nature or its licensor (e.g. a society or other partner) holds exclusive rights to this article under a publishing agreement with the author(s) or other rightsholder(s); author self-archiving of the accepted manuscript version of this article is solely governed by the terms of such publishing agreement and applicable law.</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c319t-f8ae1cdcfba23793d05c57b24e5e3eeb10417b60898bf3f718d24ffaaea863d33</citedby><cites>FETCH-LOGICAL-c319t-f8ae1cdcfba23793d05c57b24e5e3eeb10417b60898bf3f718d24ffaaea863d33</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>314,780,784,27924,27925</link.rule.ids></links><search><creatorcontrib>Cui, Yuanyuan</creatorcontrib><creatorcontrib>Wang, Xiaokang</creatorcontrib><creatorcontrib>Zhang, Xiaochun</creatorcontrib><creatorcontrib>Chen, Songsong</creatorcontrib><creatorcontrib>Liu, Yifan</creatorcontrib><creatorcontrib>Zhang, Junping</creatorcontrib><creatorcontrib>Dong, Li</creatorcontrib><creatorcontrib>Shi, Lei</creatorcontrib><creatorcontrib>Zhang, Xiangping</creatorcontrib><title>Performance and Mechanism Study on Functionalized Phosphonium-Based Deep Eutectic Solvents for CO2 Absorption</title><title>International journal of thermophysics</title><addtitle>Int J Thermophys</addtitle><description>In this work, a series of functionalized phosphonium-based deep eutectic solvents (DESs) were prepared, and the solubility of CO
2
in DESs was determined at temperatures from 303.15 K to 333.15 K and pressures from 200 to 2500 kPa. The experimental results show that the addition of carboxyl, hydroxyl, or amino functional groups to the alkyl chain of phosphonium-based ionic liquid (IL) can improve the solubility of CO
2
in DESs. With the use of the nonrandom two-liquid (NRTL) model, the solubility data for the {CO
2
+ DESs} system were correlated, and the average relative deviation (ARD%) between the calculated and experimental values was less than 5%. The maximum absorption of CO
2
was shown by 1-carboxyethyltributylphosphonium bromide–diethylene glycol ([P
4,4,4,2
COOH][Br]-DEG), whose mole fraction of CO
2
was 0.5335 at 303.15 K and 2500 kPa. At the same time, [P
4,4,4,2
COOH][Br]-DEG can still maintain high-CO
2
absorption performance after five cycles of absorption and desorption, indicating that the DES had good cycle stability. In addition, the interaction energy between CO
2
and four DESs was determined by density functional theory (DFT), and the chemical bond and weak interaction were revealed by interaction region indicator (IRI), to clarify the absorption mechanism.</description><subject>Absorption</subject><subject>Carbon dioxide</subject><subject>Chemical bonds</subject><subject>Classical Mechanics</subject><subject>Condensed Matter Physics</subject><subject>Density functional theory</subject><subject>Functional groups</subject><subject>Geophysics</subject><subject>Industrial Chemistry/Chemical Engineering</subject><subject>Ionic liquids</subject><subject>Ions</subject><subject>Physical Chemistry</subject><subject>Physics</subject><subject>Physics and Astronomy</subject><subject>Solubility</subject><subject>Solvents</subject><subject>Thermodynamics</subject><issn>0195-928X</issn><issn>1572-9567</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2023</creationdate><recordtype>article</recordtype><recordid>eNp9kN9LwzAQx4MoOKf_gE8Bn6P50S7t45ybCsoGU_CtpOnFdaxJTVph_vVmVvDNlzs4Pvfh7ovQJaPXjFJ5ExiVk5RQLggVnEpCj9CIpZKTPJ3IYzSiLE9JzrO3U3QWwpZSmstcjFCzAm-cb5TVgJWt8DPojbJ1aPC666s9dhYvequ72lm1q7-gwquNC-3G2bpvyK0KcXIH0OJ530HENF673SfYLuDoxbMlx9MyON8eDOfoxKhdgIvfPkavi_nL7IE8Le8fZ9MnogXLO2IyBUxX2pSKi3hmRVOdypInkIIAKBlNmCwnNMuz0ggjWVbxxBilQGUTUQkxRleDt_Xuo4fQFVvX-_hAKHjGuEx5wmWk-EBp70LwYIrW143y-4LR4hBrMcRaxFiLn1hjHSMxLIUI23fwf-p_tr4BnuF8bg</recordid><startdate>20230701</startdate><enddate>20230701</enddate><creator>Cui, Yuanyuan</creator><creator>Wang, Xiaokang</creator><creator>Zhang, Xiaochun</creator><creator>Chen, Songsong</creator><creator>Liu, Yifan</creator><creator>Zhang, Junping</creator><creator>Dong, Li</creator><creator>Shi, Lei</creator><creator>Zhang, Xiangping</creator><general>Springer US</general><general>Springer Nature B.V</general><scope>AAYXX</scope><scope>CITATION</scope></search><sort><creationdate>20230701</creationdate><title>Performance and Mechanism Study on Functionalized Phosphonium-Based Deep Eutectic Solvents for CO2 Absorption</title><author>Cui, Yuanyuan ; Wang, Xiaokang ; Zhang, Xiaochun ; Chen, Songsong ; Liu, Yifan ; Zhang, Junping ; Dong, Li ; Shi, Lei ; Zhang, Xiangping</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c319t-f8ae1cdcfba23793d05c57b24e5e3eeb10417b60898bf3f718d24ffaaea863d33</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2023</creationdate><topic>Absorption</topic><topic>Carbon dioxide</topic><topic>Chemical bonds</topic><topic>Classical Mechanics</topic><topic>Condensed Matter Physics</topic><topic>Density functional theory</topic><topic>Functional groups</topic><topic>Geophysics</topic><topic>Industrial Chemistry/Chemical Engineering</topic><topic>Ionic liquids</topic><topic>Ions</topic><topic>Physical Chemistry</topic><topic>Physics</topic><topic>Physics and Astronomy</topic><topic>Solubility</topic><topic>Solvents</topic><topic>Thermodynamics</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Cui, Yuanyuan</creatorcontrib><creatorcontrib>Wang, Xiaokang</creatorcontrib><creatorcontrib>Zhang, Xiaochun</creatorcontrib><creatorcontrib>Chen, Songsong</creatorcontrib><creatorcontrib>Liu, Yifan</creatorcontrib><creatorcontrib>Zhang, Junping</creatorcontrib><creatorcontrib>Dong, Li</creatorcontrib><creatorcontrib>Shi, Lei</creatorcontrib><creatorcontrib>Zhang, Xiangping</creatorcontrib><collection>CrossRef</collection><jtitle>International journal of thermophysics</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Cui, Yuanyuan</au><au>Wang, Xiaokang</au><au>Zhang, Xiaochun</au><au>Chen, Songsong</au><au>Liu, Yifan</au><au>Zhang, Junping</au><au>Dong, Li</au><au>Shi, Lei</au><au>Zhang, Xiangping</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Performance and Mechanism Study on Functionalized Phosphonium-Based Deep Eutectic Solvents for CO2 Absorption</atitle><jtitle>International journal of thermophysics</jtitle><stitle>Int J Thermophys</stitle><date>2023-07-01</date><risdate>2023</risdate><volume>44</volume><issue>7</issue><artnum>98</artnum><issn>0195-928X</issn><eissn>1572-9567</eissn><abstract>In this work, a series of functionalized phosphonium-based deep eutectic solvents (DESs) were prepared, and the solubility of CO
2
in DESs was determined at temperatures from 303.15 K to 333.15 K and pressures from 200 to 2500 kPa. The experimental results show that the addition of carboxyl, hydroxyl, or amino functional groups to the alkyl chain of phosphonium-based ionic liquid (IL) can improve the solubility of CO
2
in DESs. With the use of the nonrandom two-liquid (NRTL) model, the solubility data for the {CO
2
+ DESs} system were correlated, and the average relative deviation (ARD%) between the calculated and experimental values was less than 5%. The maximum absorption of CO
2
was shown by 1-carboxyethyltributylphosphonium bromide–diethylene glycol ([P
4,4,4,2
COOH][Br]-DEG), whose mole fraction of CO
2
was 0.5335 at 303.15 K and 2500 kPa. At the same time, [P
4,4,4,2
COOH][Br]-DEG can still maintain high-CO
2
absorption performance after five cycles of absorption and desorption, indicating that the DES had good cycle stability. In addition, the interaction energy between CO
2
and four DESs was determined by density functional theory (DFT), and the chemical bond and weak interaction were revealed by interaction region indicator (IRI), to clarify the absorption mechanism.</abstract><cop>New York</cop><pub>Springer US</pub><doi>10.1007/s10765-023-03207-0</doi></addata></record> |
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| language | eng |
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| subjects | Absorption Carbon dioxide Chemical bonds Classical Mechanics Condensed Matter Physics Density functional theory Functional groups Geophysics Industrial Chemistry/Chemical Engineering Ionic liquids Ions Physical Chemistry Physics Physics and Astronomy Solubility Solvents Thermodynamics |
| title | Performance and Mechanism Study on Functionalized Phosphonium-Based Deep Eutectic Solvents for CO2 Absorption |
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