A new simple model for calculation of solubilities of derivatized anthraquinone compounds in supercritical carbon dioxide
A new modified Redlich–Kwong equations of state (βRK-EoS) is proposed to calculate the solubilities of eight dyeing compounds from anthraquinone family in supercritical CO 2 . In order to evaluate the results, the proposed model was also compared with the Peng–Robinson equation of state (PR-EoS) in...
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| Veröffentlicht in: | Chemical papers 2020-03, Vol.74 (3), p.985-993 |
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| creator | Rostamian, Hossein Lotfollahi, Mohammad Nader |
| description | A new modified Redlich–Kwong equations of state (βRK-EoS) is proposed to calculate the solubilities of eight dyeing compounds from anthraquinone family in supercritical CO
2
. In order to evaluate the results, the proposed model was also compared with the Peng–Robinson equation of state (PR-EoS) in combination with the van der Waals (vdW1) and Wong–Sandler (WS) mixing rules. The βRK–vdW0 model was found to deviate from the experimental results by 3.65%, whereas higher deviations were observed in PR–vdW1 and PR–WS models with providing AARDs of 11.44% and 6.8%, respectively. The modeling results show that the combination of βRK equation of state with vdW0 mixing rules, despite its simplicity, offers better results than other models and this combination can be used as a proper model to calculate the solubility of dye compounds in supercritical CO
2
. |
| doi_str_mv | 10.1007/s11696-019-00936-1 |
| format | Article |
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2
. In order to evaluate the results, the proposed model was also compared with the Peng–Robinson equation of state (PR-EoS) in combination with the van der Waals (vdW1) and Wong–Sandler (WS) mixing rules. The βRK–vdW0 model was found to deviate from the experimental results by 3.65%, whereas higher deviations were observed in PR–vdW1 and PR–WS models with providing AARDs of 11.44% and 6.8%, respectively. The modeling results show that the combination of βRK equation of state with vdW0 mixing rules, despite its simplicity, offers better results than other models and this combination can be used as a proper model to calculate the solubility of dye compounds in supercritical CO
2
.</description><identifier>ISSN: 2585-7290</identifier><identifier>ISSN: 0366-6352</identifier><identifier>EISSN: 1336-9075</identifier><identifier>DOI: 10.1007/s11696-019-00936-1</identifier><language>eng</language><publisher>Cham: Springer International Publishing</publisher><subject>Anthraquinones ; Biochemistry ; Biotechnology ; Carbon dioxide ; Chemistry ; Chemistry and Materials Science ; Chemistry/Food Science ; Dyeing ; Equations of state ; Industrial Chemistry/Chemical Engineering ; Materials Science ; Mathematical models ; Medicinal Chemistry ; Mixing rules ; Original Paper ; Solubility</subject><ispartof>Chemical papers, 2020-03, Vol.74 (3), p.985-993</ispartof><rights>Institute of Chemistry, Slovak Academy of Sciences 2019</rights><rights>2019© Institute of Chemistry, Slovak Academy of Sciences 2019</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c356t-b85313577f2d77ceefbf9723ade6f4784badfba546c39dcd83aad1c6ee7676433</citedby><cites>FETCH-LOGICAL-c356t-b85313577f2d77ceefbf9723ade6f4784badfba546c39dcd83aad1c6ee7676433</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktopdf>$$Uhttps://link.springer.com/content/pdf/10.1007/s11696-019-00936-1$$EPDF$$P50$$Gspringer$$H</linktopdf><linktohtml>$$Uhttps://link.springer.com/10.1007/s11696-019-00936-1$$EHTML$$P50$$Gspringer$$H</linktohtml><link.rule.ids>314,776,780,27901,27902,41464,42533,51294</link.rule.ids></links><search><creatorcontrib>Rostamian, Hossein</creatorcontrib><creatorcontrib>Lotfollahi, Mohammad Nader</creatorcontrib><title>A new simple model for calculation of solubilities of derivatized anthraquinone compounds in supercritical carbon dioxide</title><title>Chemical papers</title><addtitle>Chem. Pap</addtitle><description>A new modified Redlich–Kwong equations of state (βRK-EoS) is proposed to calculate the solubilities of eight dyeing compounds from anthraquinone family in supercritical CO
2
. In order to evaluate the results, the proposed model was also compared with the Peng–Robinson equation of state (PR-EoS) in combination with the van der Waals (vdW1) and Wong–Sandler (WS) mixing rules. The βRK–vdW0 model was found to deviate from the experimental results by 3.65%, whereas higher deviations were observed in PR–vdW1 and PR–WS models with providing AARDs of 11.44% and 6.8%, respectively. The modeling results show that the combination of βRK equation of state with vdW0 mixing rules, despite its simplicity, offers better results than other models and this combination can be used as a proper model to calculate the solubility of dye compounds in supercritical CO
2
.</description><subject>Anthraquinones</subject><subject>Biochemistry</subject><subject>Biotechnology</subject><subject>Carbon dioxide</subject><subject>Chemistry</subject><subject>Chemistry and Materials Science</subject><subject>Chemistry/Food Science</subject><subject>Dyeing</subject><subject>Equations of state</subject><subject>Industrial Chemistry/Chemical Engineering</subject><subject>Materials Science</subject><subject>Mathematical models</subject><subject>Medicinal Chemistry</subject><subject>Mixing rules</subject><subject>Original Paper</subject><subject>Solubility</subject><issn>2585-7290</issn><issn>0366-6352</issn><issn>1336-9075</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2020</creationdate><recordtype>article</recordtype><recordid>eNp9kM1KxDAURoMoOOi8gKuA62rStEm7HAb_YMCNrkOa3Gikk3SSVh2f3owV3Lm6ueT7zoWD0AUlV5QQcZ0o5S0vCG0LQlrGC3qEFpTlR0tEfYwWZd3UhShbcoqWKbmOVJVgZcPFAu1X2MMHTm479IC3wUCPbYhYq15PvRpd8DhYnEI_da53o4N02A1E955_v8Bg5cfXqHaT88ED1mE7hMmbhJ3HaRog6phrmZeZscs448KnM3COTqzqEyx_5xl6vr15Wt8Xm8e7h_VqU2hW87HomppRVgthSyOEBrCdbUXJlAFuK9FUnTK2U3XFNWuNNg1TylDNAQQXvGLsDF3O3CGG3QRplG9hij6flCWrsy_RikOqnFM6hpQiWDlEt1VxLymRB8tytiyzZfljWdJcYnMp5bB_gfiH_qf1DWNig1s</recordid><startdate>20200301</startdate><enddate>20200301</enddate><creator>Rostamian, Hossein</creator><creator>Lotfollahi, Mohammad Nader</creator><general>Springer International Publishing</general><general>Springer Nature B.V</general><scope>AAYXX</scope><scope>CITATION</scope><scope>7SR</scope><scope>7U5</scope><scope>8BQ</scope><scope>8FD</scope><scope>JG9</scope><scope>L7M</scope></search><sort><creationdate>20200301</creationdate><title>A new simple model for calculation of solubilities of derivatized anthraquinone compounds in supercritical carbon dioxide</title><author>Rostamian, Hossein ; Lotfollahi, Mohammad Nader</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c356t-b85313577f2d77ceefbf9723ade6f4784badfba546c39dcd83aad1c6ee7676433</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2020</creationdate><topic>Anthraquinones</topic><topic>Biochemistry</topic><topic>Biotechnology</topic><topic>Carbon dioxide</topic><topic>Chemistry</topic><topic>Chemistry and Materials Science</topic><topic>Chemistry/Food Science</topic><topic>Dyeing</topic><topic>Equations of state</topic><topic>Industrial Chemistry/Chemical Engineering</topic><topic>Materials Science</topic><topic>Mathematical models</topic><topic>Medicinal Chemistry</topic><topic>Mixing rules</topic><topic>Original Paper</topic><topic>Solubility</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Rostamian, Hossein</creatorcontrib><creatorcontrib>Lotfollahi, Mohammad Nader</creatorcontrib><collection>CrossRef</collection><collection>Engineered Materials Abstracts</collection><collection>Solid State and Superconductivity Abstracts</collection><collection>METADEX</collection><collection>Technology Research Database</collection><collection>Materials Research Database</collection><collection>Advanced Technologies Database with Aerospace</collection><jtitle>Chemical papers</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Rostamian, Hossein</au><au>Lotfollahi, Mohammad Nader</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>A new simple model for calculation of solubilities of derivatized anthraquinone compounds in supercritical carbon dioxide</atitle><jtitle>Chemical papers</jtitle><stitle>Chem. Pap</stitle><date>2020-03-01</date><risdate>2020</risdate><volume>74</volume><issue>3</issue><spage>985</spage><epage>993</epage><pages>985-993</pages><issn>2585-7290</issn><issn>0366-6352</issn><eissn>1336-9075</eissn><abstract>A new modified Redlich–Kwong equations of state (βRK-EoS) is proposed to calculate the solubilities of eight dyeing compounds from anthraquinone family in supercritical CO
2
. In order to evaluate the results, the proposed model was also compared with the Peng–Robinson equation of state (PR-EoS) in combination with the van der Waals (vdW1) and Wong–Sandler (WS) mixing rules. The βRK–vdW0 model was found to deviate from the experimental results by 3.65%, whereas higher deviations were observed in PR–vdW1 and PR–WS models with providing AARDs of 11.44% and 6.8%, respectively. The modeling results show that the combination of βRK equation of state with vdW0 mixing rules, despite its simplicity, offers better results than other models and this combination can be used as a proper model to calculate the solubility of dye compounds in supercritical CO
2
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| language | eng |
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| source | Springer Nature - Complete Springer Journals |
| subjects | Anthraquinones Biochemistry Biotechnology Carbon dioxide Chemistry Chemistry and Materials Science Chemistry/Food Science Dyeing Equations of state Industrial Chemistry/Chemical Engineering Materials Science Mathematical models Medicinal Chemistry Mixing rules Original Paper Solubility |
| title | A new simple model for calculation of solubilities of derivatized anthraquinone compounds in supercritical carbon dioxide |
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