CO2 solubility measurement and thermodynamic modeling for 1-methylpiperazine/water/CO2
An accurate thermodynamic model is the primary element needed for the process simulation and optimization for CO2 absorption in aqueous amine solutions. In this work, the thermodynamic model was built in Aspen Plus, using the electrolyte nonrandom two-liquid (ENRTL) activity coefficient model to rep...
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| Veröffentlicht in: | Fluid phase equilibria 2015-05, Vol.394, p.118-128 |
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| container_title | Fluid phase equilibria |
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| creator | Li, Han Le Moullec, Yann Lu, Jiahui Chen, Jian Valle Marcos, Jose Carlos Chen, Guofei Chopin, Fabrice |
| description | An accurate thermodynamic model is the primary element needed for the process simulation and optimization for CO2 absorption in aqueous amine solutions. In this work, the thermodynamic model was built in Aspen Plus, using the electrolyte nonrandom two-liquid (ENRTL) activity coefficient model to represent vapor pressure and heat capacity data, simultaneously, for amine, vapor–liquid equilibrium (VLE), excess enthalpy (HE), and pKa data for amine/H2O, and CO2 solubility data for amine/CO2/H2O. The cyclic diamine 1-methylpiperazine (1MPZ) is a promising amine for CO2 capture. CO2 solubility was measured for 1MPZ aqueous solutions at three concentrations – 10wt%, 30wt%, and 40wt% and four temperatures – 313.15K, 343.15K, 373.15K, and 393.15K. The excess enthalpy for 1MPZ+H2O was obtained by the Setaram C80 calorimeter at 303.15K and 323.15K, within a whole mole-fraction range. The interaction parameters of nonrandom two-liquid model (NRTL) and ENRTL, along with the standard state properties of amine ions – protonated 1MPZ (1MPZH+, 1MPZH2+), 1MPZ carbamate (1MPZCOO−), and protonated 1MPZ carbamate (H1MPZCOO) – were regressed from data obtained from this work as well as literature, which agreed with the model calculation. |
| doi_str_mv | 10.1016/j.fluid.2015.03.021 |
| format | Article |
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In this work, the thermodynamic model was built in Aspen Plus, using the electrolyte nonrandom two-liquid (ENRTL) activity coefficient model to represent vapor pressure and heat capacity data, simultaneously, for amine, vapor–liquid equilibrium (VLE), excess enthalpy (HE), and pKa data for amine/H2O, and CO2 solubility data for amine/CO2/H2O. The cyclic diamine 1-methylpiperazine (1MPZ) is a promising amine for CO2 capture. CO2 solubility was measured for 1MPZ aqueous solutions at three concentrations – 10wt%, 30wt%, and 40wt% and four temperatures – 313.15K, 343.15K, 373.15K, and 393.15K. The excess enthalpy for 1MPZ+H2O was obtained by the Setaram C80 calorimeter at 303.15K and 323.15K, within a whole mole-fraction range. The interaction parameters of nonrandom two-liquid model (NRTL) and ENRTL, along with the standard state properties of amine ions – protonated 1MPZ (1MPZH+, 1MPZH2+), 1MPZ carbamate (1MPZCOO−), and protonated 1MPZ carbamate (H1MPZCOO) – were regressed from data obtained from this work as well as literature, which agreed with the model calculation.</description><identifier>ISSN: 0378-3812</identifier><identifier>EISSN: 1879-0224</identifier><identifier>DOI: 10.1016/j.fluid.2015.03.021</identifier><language>eng</language><publisher>Elsevier B.V</publisher><subject>1-Methylpiperazine ; Amines ; Carbon dioxide ; CO2 solubility ; Computer simulation ; Enthalpy ; Excess enthalpy ; Interaction parameters ; Mathematical models ; Solubility ; Thermodynamic model ; Thermodynamic models</subject><ispartof>Fluid phase equilibria, 2015-05, Vol.394, p.118-128</ispartof><rights>2015</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c472t-9d7ea948c529fa23ab99506f39196f8fb0724a73fac0b431ab114c9354e1345f3</citedby><cites>FETCH-LOGICAL-c472t-9d7ea948c529fa23ab99506f39196f8fb0724a73fac0b431ab114c9354e1345f3</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktohtml>$$Uhttps://dx.doi.org/10.1016/j.fluid.2015.03.021$$EHTML$$P50$$Gelsevier$$H</linktohtml><link.rule.ids>314,780,784,3550,27924,27925,45995</link.rule.ids></links><search><creatorcontrib>Li, Han</creatorcontrib><creatorcontrib>Le Moullec, Yann</creatorcontrib><creatorcontrib>Lu, Jiahui</creatorcontrib><creatorcontrib>Chen, Jian</creatorcontrib><creatorcontrib>Valle Marcos, Jose Carlos</creatorcontrib><creatorcontrib>Chen, Guofei</creatorcontrib><creatorcontrib>Chopin, Fabrice</creatorcontrib><title>CO2 solubility measurement and thermodynamic modeling for 1-methylpiperazine/water/CO2</title><title>Fluid phase equilibria</title><description>An accurate thermodynamic model is the primary element needed for the process simulation and optimization for CO2 absorption in aqueous amine solutions. In this work, the thermodynamic model was built in Aspen Plus, using the electrolyte nonrandom two-liquid (ENRTL) activity coefficient model to represent vapor pressure and heat capacity data, simultaneously, for amine, vapor–liquid equilibrium (VLE), excess enthalpy (HE), and pKa data for amine/H2O, and CO2 solubility data for amine/CO2/H2O. The cyclic diamine 1-methylpiperazine (1MPZ) is a promising amine for CO2 capture. CO2 solubility was measured for 1MPZ aqueous solutions at three concentrations – 10wt%, 30wt%, and 40wt% and four temperatures – 313.15K, 343.15K, 373.15K, and 393.15K. The excess enthalpy for 1MPZ+H2O was obtained by the Setaram C80 calorimeter at 303.15K and 323.15K, within a whole mole-fraction range. The interaction parameters of nonrandom two-liquid model (NRTL) and ENRTL, along with the standard state properties of amine ions – protonated 1MPZ (1MPZH+, 1MPZH2+), 1MPZ carbamate (1MPZCOO−), and protonated 1MPZ carbamate (H1MPZCOO) – were regressed from data obtained from this work as well as literature, which agreed with the model calculation.</description><subject>1-Methylpiperazine</subject><subject>Amines</subject><subject>Carbon dioxide</subject><subject>CO2 solubility</subject><subject>Computer simulation</subject><subject>Enthalpy</subject><subject>Excess enthalpy</subject><subject>Interaction parameters</subject><subject>Mathematical models</subject><subject>Solubility</subject><subject>Thermodynamic model</subject><subject>Thermodynamic models</subject><issn>0378-3812</issn><issn>1879-0224</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2015</creationdate><recordtype>article</recordtype><recordid>eNqFkDtPwzAUhS0EEqXwC1gysiT1K4k9MKCKl4TUBVgtx7mmrvLCdkDh15NSZpjuGb5zpPshdElwRjApVrvMNqOrM4pJnmGWYUqO0IKIUqaYUn6MFpiVImWC0FN0FsIO45ks6AK9rjc0CX0zVq5xcUpa0GH00EIXE93VSdyCb_t66nTrTDInaFz3ltjeJyRtIW6nZnADeP3lOlh96gh-NU-eoxOrmwAXv3eJXu5un9cP6dPm_nF985QaXtKYyroELbkwOZVWU6YrKXNcWCaJLKywFS4p1yWz2uCKM6IrQriRLOdAGM8tW6Krw-7g-_cRQlStCwaaRnfQj0ERgTFnlBfif7QsclnkQrAZZQfU-D4ED1YN3rXaT4pgtReudupHuNoLV5ipWfjcuj60YH74w4FXwTjoDNTOg4mq7t2f_W9c4YoT</recordid><startdate>20150501</startdate><enddate>20150501</enddate><creator>Li, Han</creator><creator>Le Moullec, Yann</creator><creator>Lu, Jiahui</creator><creator>Chen, Jian</creator><creator>Valle Marcos, Jose Carlos</creator><creator>Chen, Guofei</creator><creator>Chopin, Fabrice</creator><general>Elsevier B.V</general><scope>AAYXX</scope><scope>CITATION</scope><scope>7UA</scope><scope>C1K</scope><scope>F1W</scope><scope>H96</scope><scope>L.G</scope><scope>7SR</scope><scope>7U5</scope><scope>8BQ</scope><scope>8FD</scope><scope>JG9</scope><scope>L7M</scope></search><sort><creationdate>20150501</creationdate><title>CO2 solubility measurement and thermodynamic modeling for 1-methylpiperazine/water/CO2</title><author>Li, Han ; Le Moullec, Yann ; Lu, Jiahui ; Chen, Jian ; Valle Marcos, Jose Carlos ; Chen, Guofei ; Chopin, Fabrice</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c472t-9d7ea948c529fa23ab99506f39196f8fb0724a73fac0b431ab114c9354e1345f3</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2015</creationdate><topic>1-Methylpiperazine</topic><topic>Amines</topic><topic>Carbon dioxide</topic><topic>CO2 solubility</topic><topic>Computer simulation</topic><topic>Enthalpy</topic><topic>Excess enthalpy</topic><topic>Interaction parameters</topic><topic>Mathematical models</topic><topic>Solubility</topic><topic>Thermodynamic model</topic><topic>Thermodynamic models</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Li, Han</creatorcontrib><creatorcontrib>Le Moullec, Yann</creatorcontrib><creatorcontrib>Lu, Jiahui</creatorcontrib><creatorcontrib>Chen, Jian</creatorcontrib><creatorcontrib>Valle Marcos, Jose Carlos</creatorcontrib><creatorcontrib>Chen, Guofei</creatorcontrib><creatorcontrib>Chopin, Fabrice</creatorcontrib><collection>CrossRef</collection><collection>Water Resources Abstracts</collection><collection>Environmental Sciences and Pollution Management</collection><collection>ASFA: Aquatic Sciences and Fisheries Abstracts</collection><collection>Aquatic Science & Fisheries Abstracts (ASFA) 2: Ocean Technology, Policy & Non-Living Resources</collection><collection>Aquatic Science & Fisheries Abstracts (ASFA) Professional</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>Fluid phase equilibria</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Li, Han</au><au>Le Moullec, Yann</au><au>Lu, Jiahui</au><au>Chen, Jian</au><au>Valle Marcos, Jose Carlos</au><au>Chen, Guofei</au><au>Chopin, Fabrice</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>CO2 solubility measurement and thermodynamic modeling for 1-methylpiperazine/water/CO2</atitle><jtitle>Fluid phase equilibria</jtitle><date>2015-05-01</date><risdate>2015</risdate><volume>394</volume><spage>118</spage><epage>128</epage><pages>118-128</pages><issn>0378-3812</issn><eissn>1879-0224</eissn><abstract>An accurate thermodynamic model is the primary element needed for the process simulation and optimization for CO2 absorption in aqueous amine solutions. In this work, the thermodynamic model was built in Aspen Plus, using the electrolyte nonrandom two-liquid (ENRTL) activity coefficient model to represent vapor pressure and heat capacity data, simultaneously, for amine, vapor–liquid equilibrium (VLE), excess enthalpy (HE), and pKa data for amine/H2O, and CO2 solubility data for amine/CO2/H2O. The cyclic diamine 1-methylpiperazine (1MPZ) is a promising amine for CO2 capture. CO2 solubility was measured for 1MPZ aqueous solutions at three concentrations – 10wt%, 30wt%, and 40wt% and four temperatures – 313.15K, 343.15K, 373.15K, and 393.15K. The excess enthalpy for 1MPZ+H2O was obtained by the Setaram C80 calorimeter at 303.15K and 323.15K, within a whole mole-fraction range. The interaction parameters of nonrandom two-liquid model (NRTL) and ENRTL, along with the standard state properties of amine ions – protonated 1MPZ (1MPZH+, 1MPZH2+), 1MPZ carbamate (1MPZCOO−), and protonated 1MPZ carbamate (H1MPZCOO) – were regressed from data obtained from this work as well as literature, which agreed with the model calculation.</abstract><pub>Elsevier B.V</pub><doi>10.1016/j.fluid.2015.03.021</doi><tpages>11</tpages></addata></record> |
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| language | eng |
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| source | ScienceDirect Journals (5 years ago - present) |
| subjects | 1-Methylpiperazine Amines Carbon dioxide CO2 solubility Computer simulation Enthalpy Excess enthalpy Interaction parameters Mathematical models Solubility Thermodynamic model Thermodynamic models |
| title | CO2 solubility measurement and thermodynamic modeling for 1-methylpiperazine/water/CO2 |
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