Bimolecular multistage diffusion-influenced chemical reactions proceeding from different sites in solutions. I. Rate constants
General matrix algebraic equations for calculating rate constants of multistage diffusion-influenced reactions (involving bimolecular exchange reactions as elementary stages) in liquid solutions that proceed from different active sites in the immediate vicinity of the contact of reactants have been...
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Veröffentlicht in: | The Journal of chemical physics 2018-09, Vol.149 (9), p.094102-094102 |
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description | General matrix algebraic equations for calculating rate constants of multistage diffusion-influenced reactions (involving bimolecular exchange reactions as elementary stages) in liquid solutions that proceed from different active sites in the immediate vicinity of the contact of reactants have been obtained on the basis of the kinematic approximation developed by the authors earlier. The equations make it possible to express rate constants of any multistage multisite bimolecular reaction between non-identical reactants in terms of the defined reaction constants and stationary Green functions averaged over reaction sites and completely determined by molecular motion of reactants or their molecular groups. The asymptotic behavior of these rate constants as they attain their steady-state values on completion of the transient stage is established. It is shown that it coincides with the corresponding exact time asymptote. Calculations are made with some specific two-stage (three-channel) bimolecular reactions as an example. |
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The asymptotic behavior of these rate constants as they attain their steady-state values on completion of the transient stage is established. It is shown that it coincides with the corresponding exact time asymptote. Calculations are made with some specific two-stage (three-channel) bimolecular reactions as an example.</description><identifier>ISSN: 0021-9606</identifier><identifier>EISSN: 1089-7690</identifier><identifier>DOI: 10.1063/1.5040015</identifier><identifier>PMID: 30195296</identifier><identifier>CODEN: JCPSA6</identifier><language>eng</language><publisher>United States: American Institute of Physics</publisher><subject>Asymptotic properties ; Chain dynamics ; Chemical reactions ; Constants ; Diffusion rate ; Green's functions ; Mathematical analysis ; Molecular motion ; Multistage ; Organic chemistry ; Rate constants</subject><ispartof>The Journal of chemical physics, 2018-09, Vol.149 (9), p.094102-094102</ispartof><rights>Author(s)</rights><rights>2018 Author(s). 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It is shown that it coincides with the corresponding exact time asymptote. Calculations are made with some specific two-stage (three-channel) bimolecular reactions as an example.</description><subject>Asymptotic properties</subject><subject>Chain dynamics</subject><subject>Chemical reactions</subject><subject>Constants</subject><subject>Diffusion rate</subject><subject>Green's functions</subject><subject>Mathematical analysis</subject><subject>Molecular motion</subject><subject>Multistage</subject><subject>Organic chemistry</subject><subject>Rate constants</subject><issn>0021-9606</issn><issn>1089-7690</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2018</creationdate><recordtype>article</recordtype><recordid>eNp90UtrFTEUB_AgFntbXfgFJODGCnM9mcnksazFR6FQKHU95GZOakomU_NYuPGzm_ZeXbhwkxDOL4fD-RPymsGWgRg-sO0IHICNz8iGgdKdFBqekw1AzzotQByTk5zvoRHZ8xfkeACmx16LDfn10S9rQFuDSXSpofhczB3S2TtXs19j56MLFaPFmdrvuHhrAk1obGnFTB_SahFnH--oS-vy9A8TxkKzL5ipjzSvoT7hLb3c0htTkNr2KiaW_JIcORMyvjrcp-Tb50-3F1-7q-svlxfnV50duCrt7PkgLNPzKAfcKWUMWm37neDMGW2tMUoqEFzObJQclQTJZuWck4LvQA2n5N2-b5v3R8VcpsVniyGYiGvNU8_aRtg4CGj07T_0fq0ptummHrQWY8_10NTZXtm05pzQTQ_JLyb9nBhMj6FMbDqE0uybQ8e6W3D-K_-k0MD7PcjWF_O4q_90-w0VMpVS</recordid><startdate>20180907</startdate><enddate>20180907</enddate><creator>Doktorov, Alexander B.</creator><general>American Institute of Physics</general><scope>NPM</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>8FD</scope><scope>H8D</scope><scope>L7M</scope><scope>7X8</scope><orcidid>https://orcid.org/0000-0001-7572-1476</orcidid><orcidid>https://orcid.org/0000000175721476</orcidid></search><sort><creationdate>20180907</creationdate><title>Bimolecular multistage diffusion-influenced chemical reactions proceeding from different sites in solutions. 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Rate constants</title><author>Doktorov, Alexander B.</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c348t-c32436c19d573eb88aaec9c2b641fa9ccaa8780647d1574e87071d8fff764b083</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2018</creationdate><topic>Asymptotic properties</topic><topic>Chain dynamics</topic><topic>Chemical reactions</topic><topic>Constants</topic><topic>Diffusion rate</topic><topic>Green's functions</topic><topic>Mathematical analysis</topic><topic>Molecular motion</topic><topic>Multistage</topic><topic>Organic chemistry</topic><topic>Rate constants</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Doktorov, Alexander B.</creatorcontrib><collection>PubMed</collection><collection>CrossRef</collection><collection>Technology Research Database</collection><collection>Aerospace Database</collection><collection>Advanced Technologies Database with Aerospace</collection><collection>MEDLINE - Academic</collection><jtitle>The Journal of chemical physics</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Doktorov, Alexander B.</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Bimolecular multistage diffusion-influenced chemical reactions proceeding from different sites in solutions. 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The equations make it possible to express rate constants of any multistage multisite bimolecular reaction between non-identical reactants in terms of the defined reaction constants and stationary Green functions averaged over reaction sites and completely determined by molecular motion of reactants or their molecular groups. The asymptotic behavior of these rate constants as they attain their steady-state values on completion of the transient stage is established. It is shown that it coincides with the corresponding exact time asymptote. Calculations are made with some specific two-stage (three-channel) bimolecular reactions as an example.</abstract><cop>United States</cop><pub>American Institute of Physics</pub><pmid>30195296</pmid><doi>10.1063/1.5040015</doi><tpages>10</tpages><orcidid>https://orcid.org/0000-0001-7572-1476</orcidid><orcidid>https://orcid.org/0000000175721476</orcidid></addata></record> |
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subjects | Asymptotic properties Chain dynamics Chemical reactions Constants Diffusion rate Green's functions Mathematical analysis Molecular motion Multistage Organic chemistry Rate constants |
title | Bimolecular multistage diffusion-influenced chemical reactions proceeding from different sites in solutions. I. Rate constants |
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