Calculation for liquid–liquid equilibria of quaternary alkane–ethyl acetate–methanol–water systems used in counter-current chromatography
The calculation of liquid–liquid equilibrium compositions of solvent systems is very important for the work on counter-current chromatography (CCC), especially the phase composition and volume ratio obtained from liquid–liquid equilibrium calculation. In this work, liquid–liquid equilibria of quater...
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Veröffentlicht in: | Journal of Chromatography A 2007-06, Vol.1151 (1), p.60-64 |
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creator | Chen, Jian Zhao, Mengqiang Yu, Yanmei Li, Zongcheng |
description | The calculation of liquid–liquid equilibrium compositions of solvent systems is very important for the work on counter-current chromatography (CCC), especially the phase composition and volume ratio obtained from liquid–liquid equilibrium calculation. In this work, liquid–liquid equilibria of quaternary Arizona solvent systems, alkane–ethyl acetate–methanol–water, and related ternary systems are correlated and predicted using the non-random two-liquid model (NRTL). Hexane, heptane and isooctane are the used alkanes. The parameters in the model are regressed only with the special systems considered. Detailed comparison with experimental data shows that liquid–liquid equilibria of these systems can be predicted with greatly improved accuracy as compared to the group contribution method (UNIFAC). |
doi_str_mv | 10.1016/j.chroma.2007.01.107 |
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In this work, liquid–liquid equilibria of quaternary Arizona solvent systems, alkane–ethyl acetate–methanol–water, and related ternary systems are correlated and predicted using the non-random two-liquid model (NRTL). Hexane, heptane and isooctane are the used alkanes. The parameters in the model are regressed only with the special systems considered. 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In this work, liquid–liquid equilibria of quaternary Arizona solvent systems, alkane–ethyl acetate–methanol–water, and related ternary systems are correlated and predicted using the non-random two-liquid model (NRTL). Hexane, heptane and isooctane are the used alkanes. The parameters in the model are regressed only with the special systems considered. Detailed comparison with experimental data shows that liquid–liquid equilibria of these systems can be predicted with greatly improved accuracy as compared to the group contribution method (UNIFAC).</description><subject>Acetates - chemistry</subject><subject>Algorithms</subject><subject>Alkanes - chemistry</subject><subject>Analytical chemistry</subject><subject>Arizona solvent system</subject><subject>Calculation</subject><subject>Chemistry</subject><subject>Chromatographic methods and physical methods associated with chromatography</subject><subject>Counter-current chromatography</subject><subject>Countercurrent Distribution - methods</subject><subject>Exact sciences and technology</subject><subject>General and physical chemistry</subject><subject>Liquid-liquid equilibria</subject><subject>Liquid–liquid equilibrium</subject><subject>Methanol - chemistry</subject><subject>Other chromatographic methods</subject><subject>Phase equilibria</subject><subject>Reproducibility of Results</subject><subject>Water - chemistry</subject><issn>0021-9673</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2007</creationdate><recordtype>article</recordtype><sourceid>EIF</sourceid><recordid>eNp9kM1uEzEQx30A0dL2DSrkC9w22Pvl-IKEokKRKnEpZ8vrHRMH7zrxB1VuvALiDXkSJtpIveGDPf7Pb0Yzf0JuOVtxxvv3u5XZxjDpVc2YWDGOqnhBLhmreSV70VyQ1yntGOOCifoVueCiQVCyS_J7o70pXmcXZmpDpN4dihv__vqzBBTw9m6ITtNg6aHoDHHW8Ui1_6FnQBDy9uipNpAxh_8JBT0Hj-HTiabpmDJMiZYEI3UzNaHMqFemxAhzpsvsOXyPer89XpOXVvsEN-f3inz7dPe4ua8evn7-svn4UJlGslyJoRVybbu6N7KDprO9FbIZwUA7SDFa1uqh63vM8bpZW9OBlIZ3eIZacjDNFXm39N3HcCiQsppcMuA9bhVKUoK1vRTtGsF2AU0MKUWwah_dhBYoztTJfrVTywrqZL9iHFWBZW_O_cswwfhcdPYegbdnQCejvY16Ni49c2sh655L5D4sHKAbPx1ElYyD2cDoIpisxuD-P8k_eUmv3g</recordid><startdate>20070601</startdate><enddate>20070601</enddate><creator>Chen, Jian</creator><creator>Zhao, Mengqiang</creator><creator>Yu, Yanmei</creator><creator>Li, Zongcheng</creator><general>Elsevier B.V</general><general>Elsevier</general><scope>IQODW</scope><scope>CGR</scope><scope>CUY</scope><scope>CVF</scope><scope>ECM</scope><scope>EIF</scope><scope>NPM</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>7X8</scope></search><sort><creationdate>20070601</creationdate><title>Calculation for liquid–liquid equilibria of quaternary alkane–ethyl acetate–methanol–water systems used in counter-current chromatography</title><author>Chen, Jian ; Zhao, Mengqiang ; Yu, Yanmei ; Li, Zongcheng</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c390t-7b4798f526c95e35f6f793dece4b97df04ab56695e1238fc5e99c15555b291ec3</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2007</creationdate><topic>Acetates - chemistry</topic><topic>Algorithms</topic><topic>Alkanes - chemistry</topic><topic>Analytical chemistry</topic><topic>Arizona solvent system</topic><topic>Calculation</topic><topic>Chemistry</topic><topic>Chromatographic methods and physical methods associated with chromatography</topic><topic>Counter-current chromatography</topic><topic>Countercurrent Distribution - methods</topic><topic>Exact sciences and technology</topic><topic>General and physical chemistry</topic><topic>Liquid-liquid equilibria</topic><topic>Liquid–liquid equilibrium</topic><topic>Methanol - chemistry</topic><topic>Other chromatographic methods</topic><topic>Phase equilibria</topic><topic>Reproducibility of Results</topic><topic>Water - chemistry</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Chen, Jian</creatorcontrib><creatorcontrib>Zhao, Mengqiang</creatorcontrib><creatorcontrib>Yu, Yanmei</creatorcontrib><creatorcontrib>Li, Zongcheng</creatorcontrib><collection>Pascal-Francis</collection><collection>Medline</collection><collection>MEDLINE</collection><collection>MEDLINE (Ovid)</collection><collection>MEDLINE</collection><collection>MEDLINE</collection><collection>PubMed</collection><collection>CrossRef</collection><collection>MEDLINE - Academic</collection><jtitle>Journal of Chromatography A</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Chen, Jian</au><au>Zhao, Mengqiang</au><au>Yu, Yanmei</au><au>Li, Zongcheng</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Calculation for liquid–liquid equilibria of quaternary alkane–ethyl acetate–methanol–water systems used in counter-current chromatography</atitle><jtitle>Journal of Chromatography A</jtitle><addtitle>J Chromatogr A</addtitle><date>2007-06-01</date><risdate>2007</risdate><volume>1151</volume><issue>1</issue><spage>60</spage><epage>64</epage><pages>60-64</pages><issn>0021-9673</issn><coden>JOCRAM</coden><abstract>The calculation of liquid–liquid equilibrium compositions of solvent systems is very important for the work on counter-current chromatography (CCC), especially the phase composition and volume ratio obtained from liquid–liquid equilibrium calculation. In this work, liquid–liquid equilibria of quaternary Arizona solvent systems, alkane–ethyl acetate–methanol–water, and related ternary systems are correlated and predicted using the non-random two-liquid model (NRTL). Hexane, heptane and isooctane are the used alkanes. The parameters in the model are regressed only with the special systems considered. Detailed comparison with experimental data shows that liquid–liquid equilibria of these systems can be predicted with greatly improved accuracy as compared to the group contribution method (UNIFAC).</abstract><cop>Amsterdam</cop><pub>Elsevier B.V</pub><pmid>17300790</pmid><doi>10.1016/j.chroma.2007.01.107</doi><tpages>5</tpages></addata></record> |
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subjects | Acetates - chemistry Algorithms Alkanes - chemistry Analytical chemistry Arizona solvent system Calculation Chemistry Chromatographic methods and physical methods associated with chromatography Counter-current chromatography Countercurrent Distribution - methods Exact sciences and technology General and physical chemistry Liquid-liquid equilibria Liquid–liquid equilibrium Methanol - chemistry Other chromatographic methods Phase equilibria Reproducibility of Results Water - chemistry |
title | Calculation for liquid–liquid equilibria of quaternary alkane–ethyl acetate–methanol–water systems used in counter-current chromatography |
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