Development of a kinetic model for alcohol synthesis over a cesium-promoted Cu/ZnO catalyst
This paper reports on a kinetic reaction network developed for the synthesis of oxygenates from synthesis gave over Cs-promoted Cu/ZnO catalysts in a differential reaction regime. The most important carbon- carbon bond forming reactions of the model are linear growth by addition of an oxygenated C{s...
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Veröffentlicht in: | Industrial & engineering chemistry research 1991-01, Vol.30:1 |
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creator | Herman, R.G. Klier, K. Smith, K.J. Young, C.W. |
description | This paper reports on a kinetic reaction network developed for the synthesis of oxygenates from synthesis gave over Cs-promoted Cu/ZnO catalysts in a differential reaction regime. The most important carbon- carbon bond forming reactions of the model are linear growth by addition of an oxygenated C{sub 1} intermediate to an alcohol chain that yields linear alcohols and a {beta}-addition aldol condensation type mechanism between an oxygenated C{sub 1} intermediate and an aldehydic C{sub n} intermediate that yields 2-methyl-branched primary alcohols. The most important carbon-oxygen bond forming reaction is a methoxide addition, {eta}{sub 0}, that yields methyl esters. Estimates of the kinetic parameters show that the {beta} addition is faster than linear growth, which results in high selectivities to branched alcohols, i.e., 2-methyl-1- propanol. |
doi_str_mv | 10.1021/ie00049a010 |
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The most important carbon- carbon bond forming reactions of the model are linear growth by addition of an oxygenated C{sub 1} intermediate to an alcohol chain that yields linear alcohols and a {beta}-addition aldol condensation type mechanism between an oxygenated C{sub 1} intermediate and an aldehydic C{sub n} intermediate that yields 2-methyl-branched primary alcohols. The most important carbon-oxygen bond forming reaction is a methoxide addition, {eta}{sub 0}, that yields methyl esters. Estimates of the kinetic parameters show that the {beta} addition is faster than linear growth, which results in high selectivities to branched alcohols, i.e., 2-methyl-1- propanol.</description><identifier>ISSN: 0888-5885</identifier><identifier>EISSN: 1520-5045</identifier><identifier>DOI: 10.1021/ie00049a010</identifier><language>eng</language><publisher>United States</publisher><subject>02 PETROLEUM ; 020400 -- Petroleum-- Processing ; 09 BIOMASS FUELS ; 400201 -- Chemical & Physicochemical Properties ; ALCOHOLS ; ALKALI METALS ; CATALYST SUPPORTS ; CATALYSTS ; CATALYTIC CRACKING ; CATALYTIC EFFECTS ; CESIUM ; CHALCOGENIDES ; CHEMICAL BONDS ; CHEMICAL COMPOSITION ; CHEMICAL REACTION KINETICS ; CHEMICAL REACTIONS ; COPPER COMPOUNDS ; COPPER OXIDES ; CRACKING ; DECOMPOSITION ; ELEMENTS ; HYDROXY COMPOUNDS ; INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY ; KINETICS ; METALS ; ORGANIC COMPOUNDS ; OXIDES ; OXYGEN COMPOUNDS ; PYROLYSIS ; REACTION KINETICS ; SYNTHESIS ; THERMOCHEMICAL PROCESSES ; TRANSITION ELEMENT COMPOUNDS ; ZINC COMPOUNDS 090900 -- Biomass Fuels-- Processing-- (1990-) ; ZINC OXIDES</subject><ispartof>Industrial & engineering chemistry research, 1991-01, Vol.30:1</ispartof><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>230,314,780,784,885,27924,27925</link.rule.ids><backlink>$$Uhttps://www.osti.gov/biblio/6084051$$D View this record in Osti.gov$$Hfree_for_read</backlink></links><search><creatorcontrib>Herman, R.G.</creatorcontrib><creatorcontrib>Klier, K.</creatorcontrib><creatorcontrib>Smith, K.J.</creatorcontrib><creatorcontrib>Young, C.W.</creatorcontrib><title>Development of a kinetic model for alcohol synthesis over a cesium-promoted Cu/ZnO catalyst</title><title>Industrial & engineering chemistry research</title><description>This paper reports on a kinetic reaction network developed for the synthesis of oxygenates from synthesis gave over Cs-promoted Cu/ZnO catalysts in a differential reaction regime. The most important carbon- carbon bond forming reactions of the model are linear growth by addition of an oxygenated C{sub 1} intermediate to an alcohol chain that yields linear alcohols and a {beta}-addition aldol condensation type mechanism between an oxygenated C{sub 1} intermediate and an aldehydic C{sub n} intermediate that yields 2-methyl-branched primary alcohols. The most important carbon-oxygen bond forming reaction is a methoxide addition, {eta}{sub 0}, that yields methyl esters. Estimates of the kinetic parameters show that the {beta} addition is faster than linear growth, which results in high selectivities to branched alcohols, i.e., 2-methyl-1- propanol.</description><subject>02 PETROLEUM</subject><subject>020400 -- Petroleum-- Processing</subject><subject>09 BIOMASS FUELS</subject><subject>400201 -- Chemical & Physicochemical Properties</subject><subject>ALCOHOLS</subject><subject>ALKALI METALS</subject><subject>CATALYST SUPPORTS</subject><subject>CATALYSTS</subject><subject>CATALYTIC CRACKING</subject><subject>CATALYTIC EFFECTS</subject><subject>CESIUM</subject><subject>CHALCOGENIDES</subject><subject>CHEMICAL BONDS</subject><subject>CHEMICAL COMPOSITION</subject><subject>CHEMICAL REACTION KINETICS</subject><subject>CHEMICAL REACTIONS</subject><subject>COPPER COMPOUNDS</subject><subject>COPPER OXIDES</subject><subject>CRACKING</subject><subject>DECOMPOSITION</subject><subject>ELEMENTS</subject><subject>HYDROXY COMPOUNDS</subject><subject>INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY</subject><subject>KINETICS</subject><subject>METALS</subject><subject>ORGANIC COMPOUNDS</subject><subject>OXIDES</subject><subject>OXYGEN COMPOUNDS</subject><subject>PYROLYSIS</subject><subject>REACTION KINETICS</subject><subject>SYNTHESIS</subject><subject>THERMOCHEMICAL PROCESSES</subject><subject>TRANSITION ELEMENT COMPOUNDS</subject><subject>ZINC COMPOUNDS 090900 -- Biomass Fuels-- Processing-- (1990-)</subject><subject>ZINC OXIDES</subject><issn>0888-5885</issn><issn>1520-5045</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>1991</creationdate><recordtype>article</recordtype><recordid>eNotjEFLwzAYhoMoWKcn_0DwHvclTdr0KFWnMNhFL3oYafrVRtNkLNlg_96Cnl7eh_d5CbnlcM9B8KVDAJCNAQ5npOBKAFMg1TkpQGvNlNbqklyl9D3PlJKyIJ-PeEQfdxOGTONADf1xAbOzdIo9ejrEPTXexjF6mk4hj5hcovGIM6Z2LoeJ7fZxihl72h6WH2FDrcnGn1K-JheD8Qlv_nNB3p-f3toXtt6sXtuHNfsSvMqsB9XBUA8SZKkaXlrTdQ2XxlhhS667SoKqtanVUAltm8r0dddjpVE0vTYdlgty9_cbU3bbZF1GO9oYAtq8rUDPPi9_AbbQVNA</recordid><startdate>19910101</startdate><enddate>19910101</enddate><creator>Herman, R.G.</creator><creator>Klier, K.</creator><creator>Smith, K.J.</creator><creator>Young, C.W.</creator><scope>OTOTI</scope></search><sort><creationdate>19910101</creationdate><title>Development of a kinetic model for alcohol synthesis over a cesium-promoted Cu/ZnO catalyst</title><author>Herman, R.G. ; Klier, K. ; Smith, K.J. ; Young, C.W.</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-g216t-d05b0f7f40435913cabb914aac2c318b640578a75f628c96ad7bde68e29d8abe3</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>1991</creationdate><topic>02 PETROLEUM</topic><topic>020400 -- Petroleum-- Processing</topic><topic>09 BIOMASS FUELS</topic><topic>400201 -- Chemical & Physicochemical Properties</topic><topic>ALCOHOLS</topic><topic>ALKALI METALS</topic><topic>CATALYST SUPPORTS</topic><topic>CATALYSTS</topic><topic>CATALYTIC CRACKING</topic><topic>CATALYTIC EFFECTS</topic><topic>CESIUM</topic><topic>CHALCOGENIDES</topic><topic>CHEMICAL BONDS</topic><topic>CHEMICAL COMPOSITION</topic><topic>CHEMICAL REACTION KINETICS</topic><topic>CHEMICAL REACTIONS</topic><topic>COPPER COMPOUNDS</topic><topic>COPPER OXIDES</topic><topic>CRACKING</topic><topic>DECOMPOSITION</topic><topic>ELEMENTS</topic><topic>HYDROXY COMPOUNDS</topic><topic>INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY</topic><topic>KINETICS</topic><topic>METALS</topic><topic>ORGANIC COMPOUNDS</topic><topic>OXIDES</topic><topic>OXYGEN COMPOUNDS</topic><topic>PYROLYSIS</topic><topic>REACTION KINETICS</topic><topic>SYNTHESIS</topic><topic>THERMOCHEMICAL PROCESSES</topic><topic>TRANSITION ELEMENT COMPOUNDS</topic><topic>ZINC COMPOUNDS 090900 -- Biomass Fuels-- Processing-- (1990-)</topic><topic>ZINC OXIDES</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Herman, R.G.</creatorcontrib><creatorcontrib>Klier, K.</creatorcontrib><creatorcontrib>Smith, K.J.</creatorcontrib><creatorcontrib>Young, C.W.</creatorcontrib><collection>OSTI.GOV</collection><jtitle>Industrial & engineering chemistry research</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Herman, R.G.</au><au>Klier, K.</au><au>Smith, K.J.</au><au>Young, C.W.</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Development of a kinetic model for alcohol synthesis over a cesium-promoted Cu/ZnO catalyst</atitle><jtitle>Industrial & engineering chemistry research</jtitle><date>1991-01-01</date><risdate>1991</risdate><volume>30:1</volume><issn>0888-5885</issn><eissn>1520-5045</eissn><abstract>This paper reports on a kinetic reaction network developed for the synthesis of oxygenates from synthesis gave over Cs-promoted Cu/ZnO catalysts in a differential reaction regime. The most important carbon- carbon bond forming reactions of the model are linear growth by addition of an oxygenated C{sub 1} intermediate to an alcohol chain that yields linear alcohols and a {beta}-addition aldol condensation type mechanism between an oxygenated C{sub 1} intermediate and an aldehydic C{sub n} intermediate that yields 2-methyl-branched primary alcohols. The most important carbon-oxygen bond forming reaction is a methoxide addition, {eta}{sub 0}, that yields methyl esters. Estimates of the kinetic parameters show that the {beta} addition is faster than linear growth, which results in high selectivities to branched alcohols, i.e., 2-methyl-1- propanol.</abstract><cop>United States</cop><doi>10.1021/ie00049a010</doi></addata></record> |
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source | American Chemical Society Journals |
subjects | 02 PETROLEUM 020400 -- Petroleum-- Processing 09 BIOMASS FUELS 400201 -- Chemical & Physicochemical Properties ALCOHOLS ALKALI METALS CATALYST SUPPORTS CATALYSTS CATALYTIC CRACKING CATALYTIC EFFECTS CESIUM CHALCOGENIDES CHEMICAL BONDS CHEMICAL COMPOSITION CHEMICAL REACTION KINETICS CHEMICAL REACTIONS COPPER COMPOUNDS COPPER OXIDES CRACKING DECOMPOSITION ELEMENTS HYDROXY COMPOUNDS INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY KINETICS METALS ORGANIC COMPOUNDS OXIDES OXYGEN COMPOUNDS PYROLYSIS REACTION KINETICS SYNTHESIS THERMOCHEMICAL PROCESSES TRANSITION ELEMENT COMPOUNDS ZINC COMPOUNDS 090900 -- Biomass Fuels-- Processing-- (1990-) ZINC OXIDES |
title | Development of a kinetic model for alcohol synthesis over a cesium-promoted Cu/ZnO catalyst |
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