Cation Effect on the Water Activity of Ternary (S)‑Aminobutanedioic Acid Magnesium Salt Solutions at 298.15 and 310.15 K
Vapor pressure osmometry was applied to the system aminomethanamidine hydrochloride (guanidinium hydrochloride, GndmCl) + (S)-aminobutanedioic acid hemimagnesium salt (magnesium l-aspartate, Mg-(l-Asp)2) + water for varying molalities of GndmCl and Mg-(l-Asp)2 (m Mg‑(Asp)2 = 0.1, 0.2, and 0.3 mol/kg...
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description | Vapor pressure osmometry was applied to the system aminomethanamidine hydrochloride (guanidinium hydrochloride, GndmCl) + (S)-aminobutanedioic acid hemimagnesium salt (magnesium l-aspartate, Mg-(l-Asp)2) + water for varying molalities of GndmCl and Mg-(l-Asp)2 (m Mg‑(Asp)2 = 0.1, 0.2, and 0.3 mol/kg and m GndmCl = 0.1–1.2 mol/kg) at T = 298.15 and 310.15 K. From vapor pressure osmometry, activities of water, activity coefficients of water, and the corresponding osmotic coefficients of the mixtures Mg-(l-Asp)2 + water and Mg-(l-Asp)2 + GndmCl + water have been calculated, both being directly related to the chemical potentials of the different species and therefore to their Gibbs energy. Electrolyte perturbed-chain statistical associating fluid theory (ePC-SAFT) accounting for Coulomb and short-range (hard chain, dispersion, association) interactions was used to model the own experimental data of binary Mg-(l-Asp)2 + water and ternary GndmCl + Mg-(l-Asp)2 + water solutions. ePC-SAFT was further applied to model osmotic coefficients of NaGlu + KCl + water, NaGlu + NaCl + water, NaAsp + NaCl + water, NaAsp + KCl + water, aminoethanoic acid + NaNO3 + water, and aminoethanoic acid + NaSCN + water as well as thermodynamic properties of these solutions such as fugacity coefficients and activity coefficients of the mixture components. Without fitting any parameters to data of the ternary salt + aminoethanoic acid + water system, osmotic coefficients, ϕ, and activity coefficients of water, γ1, and aminoethanoic acid have been predicted, and ϕ and γ1 were in good agreement with the experimental data. In contrast, a negative binary interaction parameter kij had to be introduced to model ϕ of ternary systems salt + amino acid salt + water in accurate agreement with the experimental data. |
doi_str_mv | 10.1021/acs.jced.6b00295 |
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From vapor pressure osmometry, activities of water, activity coefficients of water, and the corresponding osmotic coefficients of the mixtures Mg-(l-Asp)2 + water and Mg-(l-Asp)2 + GndmCl + water have been calculated, both being directly related to the chemical potentials of the different species and therefore to their Gibbs energy. Electrolyte perturbed-chain statistical associating fluid theory (ePC-SAFT) accounting for Coulomb and short-range (hard chain, dispersion, association) interactions was used to model the own experimental data of binary Mg-(l-Asp)2 + water and ternary GndmCl + Mg-(l-Asp)2 + water solutions. ePC-SAFT was further applied to model osmotic coefficients of NaGlu + KCl + water, NaGlu + NaCl + water, NaAsp + NaCl + water, NaAsp + KCl + water, aminoethanoic acid + NaNO3 + water, and aminoethanoic acid + NaSCN + water as well as thermodynamic properties of these solutions such as fugacity coefficients and activity coefficients of the mixture components. Without fitting any parameters to data of the ternary salt + aminoethanoic acid + water system, osmotic coefficients, ϕ, and activity coefficients of water, γ1, and aminoethanoic acid have been predicted, and ϕ and γ1 were in good agreement with the experimental data. In contrast, a negative binary interaction parameter kij had to be introduced to model ϕ of ternary systems salt + amino acid salt + water in accurate agreement with the experimental data.</description><identifier>ISSN: 0021-9568</identifier><identifier>EISSN: 1520-5134</identifier><identifier>DOI: 10.1021/acs.jced.6b00295</identifier><language>eng</language><publisher>American Chemical Society</publisher><ispartof>Journal of chemical and engineering data, 2016-09, Vol.61 (9), p.3190-3199</ispartof><rights>Copyright © 2016 American Chemical Society</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-a317t-b5c1239a8665453ec3c5d10dce6ea5300dcd18d1b102f9922e8e3b92a8e159853</citedby><cites>FETCH-LOGICAL-a317t-b5c1239a8665453ec3c5d10dce6ea5300dcd18d1b102f9922e8e3b92a8e159853</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktopdf>$$Uhttps://pubs.acs.org/doi/pdf/10.1021/acs.jced.6b00295$$EPDF$$P50$$Gacs$$H</linktopdf><linktohtml>$$Uhttps://pubs.acs.org/doi/10.1021/acs.jced.6b00295$$EHTML$$P50$$Gacs$$H</linktohtml><link.rule.ids>314,780,784,2765,27076,27924,27925,56738,56788</link.rule.ids></links><search><creatorcontrib>Held, Christoph</creatorcontrib><creatorcontrib>Tsurko, Elena N</creatorcontrib><creatorcontrib>Neueder, Roland</creatorcontrib><creatorcontrib>Sadowski, Gabriele</creatorcontrib><creatorcontrib>Kunz, Werner</creatorcontrib><title>Cation Effect on the Water Activity of Ternary (S)‑Aminobutanedioic Acid Magnesium Salt Solutions at 298.15 and 310.15 K</title><title>Journal of chemical and engineering data</title><addtitle>J. Chem. Eng. Data</addtitle><description>Vapor pressure osmometry was applied to the system aminomethanamidine hydrochloride (guanidinium hydrochloride, GndmCl) + (S)-aminobutanedioic acid hemimagnesium salt (magnesium l-aspartate, Mg-(l-Asp)2) + water for varying molalities of GndmCl and Mg-(l-Asp)2 (m Mg‑(Asp)2 = 0.1, 0.2, and 0.3 mol/kg and m GndmCl = 0.1–1.2 mol/kg) at T = 298.15 and 310.15 K. From vapor pressure osmometry, activities of water, activity coefficients of water, and the corresponding osmotic coefficients of the mixtures Mg-(l-Asp)2 + water and Mg-(l-Asp)2 + GndmCl + water have been calculated, both being directly related to the chemical potentials of the different species and therefore to their Gibbs energy. Electrolyte perturbed-chain statistical associating fluid theory (ePC-SAFT) accounting for Coulomb and short-range (hard chain, dispersion, association) interactions was used to model the own experimental data of binary Mg-(l-Asp)2 + water and ternary GndmCl + Mg-(l-Asp)2 + water solutions. ePC-SAFT was further applied to model osmotic coefficients of NaGlu + KCl + water, NaGlu + NaCl + water, NaAsp + NaCl + water, NaAsp + KCl + water, aminoethanoic acid + NaNO3 + water, and aminoethanoic acid + NaSCN + water as well as thermodynamic properties of these solutions such as fugacity coefficients and activity coefficients of the mixture components. Without fitting any parameters to data of the ternary salt + aminoethanoic acid + water system, osmotic coefficients, ϕ, and activity coefficients of water, γ1, and aminoethanoic acid have been predicted, and ϕ and γ1 were in good agreement with the experimental data. In contrast, a negative binary interaction parameter kij had to be introduced to model ϕ of ternary systems salt + amino acid salt + water in accurate agreement with the experimental data.</description><issn>0021-9568</issn><issn>1520-5134</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2016</creationdate><recordtype>article</recordtype><recordid>eNp1kMtOwzAQRS0EEqWwZzlLkEjwo07jZVWVhyhi0SKWkWNPwFWaoNhFKit-gV_kS3Bot6xmNHPvaO4h5JzRlFHOrrXx6cqgTbOSUq7kARkwyWkimRgdkkGcsUTJLD8mJ96vKKWjMWcD8jnVwbUNzKoKTYDYhTeEFx2wg4kJ7sOFLbQVLLFrdLeFi8Xlz9f3ZO2attwE3aB1rTNR6iw86tcGvdusYaHrAIu23vS3PegAXOUpk6AbC6J_WcLDKTmqdO3xbF-H5PlmtpzeJfOn2_vpZJ5owcYhKaVhXCidZ5kcSYFGGGkZtQYz1FLQ2FmWW1ZGDJVSnGOOolRc58ikyqUYErq7a7rW-w6r4r1z6ximYLTo2RWRXdGzK_bsouVqZ_nbtJuYvfb_y38BlG1xig</recordid><startdate>20160908</startdate><enddate>20160908</enddate><creator>Held, Christoph</creator><creator>Tsurko, Elena N</creator><creator>Neueder, Roland</creator><creator>Sadowski, Gabriele</creator><creator>Kunz, Werner</creator><general>American Chemical Society</general><scope>AAYXX</scope><scope>CITATION</scope></search><sort><creationdate>20160908</creationdate><title>Cation Effect on the Water Activity of Ternary (S)‑Aminobutanedioic Acid Magnesium Salt Solutions at 298.15 and 310.15 K</title><author>Held, Christoph ; Tsurko, Elena N ; Neueder, Roland ; Sadowski, Gabriele ; Kunz, Werner</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-a317t-b5c1239a8665453ec3c5d10dce6ea5300dcd18d1b102f9922e8e3b92a8e159853</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2016</creationdate><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Held, Christoph</creatorcontrib><creatorcontrib>Tsurko, Elena N</creatorcontrib><creatorcontrib>Neueder, Roland</creatorcontrib><creatorcontrib>Sadowski, Gabriele</creatorcontrib><creatorcontrib>Kunz, Werner</creatorcontrib><collection>CrossRef</collection><jtitle>Journal of chemical and engineering data</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Held, Christoph</au><au>Tsurko, Elena N</au><au>Neueder, Roland</au><au>Sadowski, Gabriele</au><au>Kunz, Werner</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Cation Effect on the Water Activity of Ternary (S)‑Aminobutanedioic Acid Magnesium Salt Solutions at 298.15 and 310.15 K</atitle><jtitle>Journal of chemical and engineering data</jtitle><addtitle>J. Chem. Eng. Data</addtitle><date>2016-09-08</date><risdate>2016</risdate><volume>61</volume><issue>9</issue><spage>3190</spage><epage>3199</epage><pages>3190-3199</pages><issn>0021-9568</issn><eissn>1520-5134</eissn><abstract>Vapor pressure osmometry was applied to the system aminomethanamidine hydrochloride (guanidinium hydrochloride, GndmCl) + (S)-aminobutanedioic acid hemimagnesium salt (magnesium l-aspartate, Mg-(l-Asp)2) + water for varying molalities of GndmCl and Mg-(l-Asp)2 (m Mg‑(Asp)2 = 0.1, 0.2, and 0.3 mol/kg and m GndmCl = 0.1–1.2 mol/kg) at T = 298.15 and 310.15 K. From vapor pressure osmometry, activities of water, activity coefficients of water, and the corresponding osmotic coefficients of the mixtures Mg-(l-Asp)2 + water and Mg-(l-Asp)2 + GndmCl + water have been calculated, both being directly related to the chemical potentials of the different species and therefore to their Gibbs energy. Electrolyte perturbed-chain statistical associating fluid theory (ePC-SAFT) accounting for Coulomb and short-range (hard chain, dispersion, association) interactions was used to model the own experimental data of binary Mg-(l-Asp)2 + water and ternary GndmCl + Mg-(l-Asp)2 + water solutions. ePC-SAFT was further applied to model osmotic coefficients of NaGlu + KCl + water, NaGlu + NaCl + water, NaAsp + NaCl + water, NaAsp + KCl + water, aminoethanoic acid + NaNO3 + water, and aminoethanoic acid + NaSCN + water as well as thermodynamic properties of these solutions such as fugacity coefficients and activity coefficients of the mixture components. Without fitting any parameters to data of the ternary salt + aminoethanoic acid + water system, osmotic coefficients, ϕ, and activity coefficients of water, γ1, and aminoethanoic acid have been predicted, and ϕ and γ1 were in good agreement with the experimental data. In contrast, a negative binary interaction parameter kij had to be introduced to model ϕ of ternary systems salt + amino acid salt + water in accurate agreement with the experimental data.</abstract><pub>American Chemical Society</pub><doi>10.1021/acs.jced.6b00295</doi><tpages>10</tpages></addata></record> |
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title | Cation Effect on the Water Activity of Ternary (S)‑Aminobutanedioic Acid Magnesium Salt Solutions at 298.15 and 310.15 K |
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