Predicting methods for sulfur removal from model oils using COSMO-RS and partition coefficient
A range of ionic liquids (ILS) with different cation and anion had been investigated for its ability to extract dibenzothiophene (DBT) from n-dodecane through COSMO-RS prediction and experiment. COSMO-RS showed quinolinium-based ILs as one of the potential ILs for hydrocarbon desulfurization. In rea...
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| Veröffentlicht in: | Chemical engineering science 2013-10, Vol.102, p.373-377 |
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| creator | Devi Wilfred, Cecilia Man, Zakaria Phak Chan, Zhe |
| description | A range of ionic liquids (ILS) with different cation and anion had been investigated for its ability to extract dibenzothiophene (DBT) from n-dodecane through COSMO-RS prediction and experiment. COSMO-RS showed quinolinium-based ILs as one of the potential ILs for hydrocarbon desulfurization. In real experiment, 1-butyl-6-methylquinolinium thiocyanate and 1-butyl-6-methylquinoliniumdicyanamide were synthesized and have shown to have the highest desulfurization efficiency in model oil among the ILs investigated.
•Ionic liquids ability to extract dibenzothiophene from n-dodecane were investigated.•COSMO-RS showed that quinolinium as one of the potential ILs for hydrocarbon desulfurization.•[C46mquinolinium][N(CN)2] and [C46mquinolinium][SCN] gave highest desulfurization in model oil. |
| doi_str_mv | 10.1016/j.ces.2013.08.032 |
| format | Article |
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•Ionic liquids ability to extract dibenzothiophene from n-dodecane were investigated.•COSMO-RS showed that quinolinium as one of the potential ILs for hydrocarbon desulfurization.•[C46mquinolinium][N(CN)2] and [C46mquinolinium][SCN] gave highest desulfurization in model oil.</description><identifier>ISSN: 0009-2509</identifier><identifier>EISSN: 1873-4405</identifier><identifier>DOI: 10.1016/j.ces.2013.08.032</identifier><language>eng</language><publisher>Elsevier Ltd</publisher><subject>Cations ; Chemical engineering ; COSMO-RS ; Desulfurizing ; Dibenzothiophene ; Extraction ; Hydrocarbons ; Ionic liquid ; Ionic liquids ; Mathematical models ; Partition coefficient ; Quinolinium ; Thiocyanates</subject><ispartof>Chemical engineering science, 2013-10, Vol.102, p.373-377</ispartof><rights>2013 Elsevier Ltd</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c400t-b882071190236463346d5a464b26d2c2ecaef8ae2461bae30455d6833aef6f103</citedby><cites>FETCH-LOGICAL-c400t-b882071190236463346d5a464b26d2c2ecaef8ae2461bae30455d6833aef6f103</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktohtml>$$Uhttps://dx.doi.org/10.1016/j.ces.2013.08.032$$EHTML$$P50$$Gelsevier$$H</linktohtml><link.rule.ids>315,781,785,3551,27929,27930,46000</link.rule.ids></links><search><creatorcontrib>Devi Wilfred, Cecilia</creatorcontrib><creatorcontrib>Man, Zakaria</creatorcontrib><creatorcontrib>Phak Chan, Zhe</creatorcontrib><title>Predicting methods for sulfur removal from model oils using COSMO-RS and partition coefficient</title><title>Chemical engineering science</title><description>A range of ionic liquids (ILS) with different cation and anion had been investigated for its ability to extract dibenzothiophene (DBT) from n-dodecane through COSMO-RS prediction and experiment. COSMO-RS showed quinolinium-based ILs as one of the potential ILs for hydrocarbon desulfurization. In real experiment, 1-butyl-6-methylquinolinium thiocyanate and 1-butyl-6-methylquinoliniumdicyanamide were synthesized and have shown to have the highest desulfurization efficiency in model oil among the ILs investigated.
•Ionic liquids ability to extract dibenzothiophene from n-dodecane were investigated.•COSMO-RS showed that quinolinium as one of the potential ILs for hydrocarbon desulfurization.•[C46mquinolinium][N(CN)2] and [C46mquinolinium][SCN] gave highest desulfurization in model oil.</description><subject>Cations</subject><subject>Chemical engineering</subject><subject>COSMO-RS</subject><subject>Desulfurizing</subject><subject>Dibenzothiophene</subject><subject>Extraction</subject><subject>Hydrocarbons</subject><subject>Ionic liquid</subject><subject>Ionic liquids</subject><subject>Mathematical models</subject><subject>Partition coefficient</subject><subject>Quinolinium</subject><subject>Thiocyanates</subject><issn>0009-2509</issn><issn>1873-4405</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2013</creationdate><recordtype>article</recordtype><recordid>eNqFkE1LxDAQhoMouK7-AG85emmdfDRt8SSLX6Cs-HE1ZNOJZmmbNWkF_71d1rOehnd4n4F5CDllkDNg6nydW0w5ByZyqHIQfI_MWFWKTEoo9skMAOqMF1AfkqOU1lMsSwYz8vYYsfF28P077XD4CE2iLkSaxtaNkUbswpdpqYuho11osKXBt4mOaQssls8Py-zpmZq-oRsTBz_40FMb0DlvPfbDMTlwpk148jvn5PX66mVxm90vb-4Wl_eZlQBDtqoqDiVjNXChpBJCqqYwUskVVw23HK1BVxnkUrGVQQGyKBpVCTGtlWMg5uRsd3cTw-eIadCdTxbb1vQYxqSZkpzLuq7V_9WCCVlyKMRUZbuqjSGliE5vou9M_NYM9Fa7XutJu95q11DpSfvEXOwYnN798hh12pqwk-WIdtBN8H_QP7Lyicw</recordid><startdate>20131011</startdate><enddate>20131011</enddate><creator>Devi Wilfred, Cecilia</creator><creator>Man, Zakaria</creator><creator>Phak Chan, Zhe</creator><general>Elsevier Ltd</general><scope>AAYXX</scope><scope>CITATION</scope><scope>7U5</scope><scope>8FD</scope><scope>F28</scope><scope>FR3</scope><scope>L7M</scope></search><sort><creationdate>20131011</creationdate><title>Predicting methods for sulfur removal from model oils using COSMO-RS and partition coefficient</title><author>Devi Wilfred, Cecilia ; Man, Zakaria ; Phak Chan, Zhe</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c400t-b882071190236463346d5a464b26d2c2ecaef8ae2461bae30455d6833aef6f103</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2013</creationdate><topic>Cations</topic><topic>Chemical engineering</topic><topic>COSMO-RS</topic><topic>Desulfurizing</topic><topic>Dibenzothiophene</topic><topic>Extraction</topic><topic>Hydrocarbons</topic><topic>Ionic liquid</topic><topic>Ionic liquids</topic><topic>Mathematical models</topic><topic>Partition coefficient</topic><topic>Quinolinium</topic><topic>Thiocyanates</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Devi Wilfred, Cecilia</creatorcontrib><creatorcontrib>Man, Zakaria</creatorcontrib><creatorcontrib>Phak Chan, Zhe</creatorcontrib><collection>CrossRef</collection><collection>Solid State and Superconductivity Abstracts</collection><collection>Technology Research Database</collection><collection>ANTE: Abstracts in New Technology & Engineering</collection><collection>Engineering Research Database</collection><collection>Advanced Technologies Database with Aerospace</collection><jtitle>Chemical engineering science</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Devi Wilfred, Cecilia</au><au>Man, Zakaria</au><au>Phak Chan, Zhe</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Predicting methods for sulfur removal from model oils using COSMO-RS and partition coefficient</atitle><jtitle>Chemical engineering science</jtitle><date>2013-10-11</date><risdate>2013</risdate><volume>102</volume><spage>373</spage><epage>377</epage><pages>373-377</pages><issn>0009-2509</issn><eissn>1873-4405</eissn><abstract>A range of ionic liquids (ILS) with different cation and anion had been investigated for its ability to extract dibenzothiophene (DBT) from n-dodecane through COSMO-RS prediction and experiment. COSMO-RS showed quinolinium-based ILs as one of the potential ILs for hydrocarbon desulfurization. In real experiment, 1-butyl-6-methylquinolinium thiocyanate and 1-butyl-6-methylquinoliniumdicyanamide were synthesized and have shown to have the highest desulfurization efficiency in model oil among the ILs investigated.
•Ionic liquids ability to extract dibenzothiophene from n-dodecane were investigated.•COSMO-RS showed that quinolinium as one of the potential ILs for hydrocarbon desulfurization.•[C46mquinolinium][N(CN)2] and [C46mquinolinium][SCN] gave highest desulfurization in model oil.</abstract><pub>Elsevier Ltd</pub><doi>10.1016/j.ces.2013.08.032</doi><tpages>5</tpages></addata></record> |
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| subjects | Cations Chemical engineering COSMO-RS Desulfurizing Dibenzothiophene Extraction Hydrocarbons Ionic liquid Ionic liquids Mathematical models Partition coefficient Quinolinium Thiocyanates |
| title | Predicting methods for sulfur removal from model oils using COSMO-RS and partition coefficient |
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