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...

Ausführliche Beschreibung

Gespeichert in:
Bibliographische Detailangaben
Veröffentlicht in:The Journal of chemical physics 2018-09, Vol.149 (9), p.094102-094102
1. Verfasser: Doktorov, Alexander B.
Format: Artikel
Sprache:eng
Schlagworte:
Online-Zugang:Volltext
Tags: Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!
container_end_page 094102
container_issue 9
container_start_page 094102
container_title The Journal of chemical physics
container_volume 149
creator Doktorov, Alexander B.
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.
doi_str_mv 10.1063/1.5040015
format Article
fullrecord <record><control><sourceid>proquest_cross</sourceid><recordid>TN_cdi_proquest_journals_2099652493</recordid><sourceformat>XML</sourceformat><sourcesystem>PC</sourcesystem><sourcerecordid>2099652493</sourcerecordid><originalsourceid>FETCH-LOGICAL-c348t-c32436c19d573eb88aaec9c2b641fa9ccaa8780647d1574e87071d8fff764b083</originalsourceid><addsrcrecordid>eNp90UtrFTEUB_AgFntbXfgFJODGCnM9mcnksazFR6FQKHU95GZOakomU_NYuPGzm_ZeXbhwkxDOL4fD-RPymsGWgRg-sO0IHICNz8iGgdKdFBqekw1AzzotQByTk5zvoRHZ8xfkeACmx16LDfn10S9rQFuDSXSpofhczB3S2TtXs19j56MLFaPFmdrvuHhrAk1obGnFTB_SahFnH--oS-vy9A8TxkKzL5ipjzSvoT7hLb3c0htTkNr2KiaW_JIcORMyvjrcp-Tb50-3F1-7q-svlxfnV50duCrt7PkgLNPzKAfcKWUMWm37neDMGW2tMUoqEFzObJQclQTJZuWck4LvQA2n5N2-b5v3R8VcpsVniyGYiGvNU8_aRtg4CGj07T_0fq0ptummHrQWY8_10NTZXtm05pzQTQ_JLyb9nBhMj6FMbDqE0uybQ8e6W3D-K_-k0MD7PcjWF_O4q_90-w0VMpVS</addsrcrecordid><sourcetype>Aggregation Database</sourcetype><iscdi>true</iscdi><recordtype>article</recordtype><pqid>2099652493</pqid></control><display><type>article</type><title>Bimolecular multistage diffusion-influenced chemical reactions proceeding from different sites in solutions. I. Rate constants</title><source>AIP Journals Complete</source><source>Alma/SFX Local Collection</source><creator>Doktorov, Alexander B.</creator><creatorcontrib>Doktorov, Alexander B.</creatorcontrib><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.</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). Published by AIP Publishing.</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c348t-c32436c19d573eb88aaec9c2b641fa9ccaa8780647d1574e87071d8fff764b083</citedby><cites>FETCH-LOGICAL-c348t-c32436c19d573eb88aaec9c2b641fa9ccaa8780647d1574e87071d8fff764b083</cites><orcidid>0000-0001-7572-1476 ; 0000000175721476</orcidid></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktohtml>$$Uhttps://pubs.aip.org/jcp/article-lookup/doi/10.1063/1.5040015$$EHTML$$P50$$Gscitation$$H</linktohtml><link.rule.ids>314,780,784,794,4512,27924,27925,76384</link.rule.ids><backlink>$$Uhttps://www.ncbi.nlm.nih.gov/pubmed/30195296$$D View this record in MEDLINE/PubMed$$Hfree_for_read</backlink></links><search><creatorcontrib>Doktorov, Alexander B.</creatorcontrib><title>Bimolecular multistage diffusion-influenced chemical reactions proceeding from different sites in solutions. I. Rate constants</title><title>The Journal of chemical physics</title><addtitle>J Chem Phys</addtitle><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.</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. I. 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. I. Rate constants</atitle><jtitle>The Journal of chemical physics</jtitle><addtitle>J Chem Phys</addtitle><date>2018-09-07</date><risdate>2018</risdate><volume>149</volume><issue>9</issue><spage>094102</spage><epage>094102</epage><pages>094102-094102</pages><issn>0021-9606</issn><eissn>1089-7690</eissn><coden>JCPSA6</coden><abstract>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.</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>
fulltext fulltext
identifier ISSN: 0021-9606
ispartof The Journal of chemical physics, 2018-09, Vol.149 (9), p.094102-094102
issn 0021-9606
1089-7690
language eng
recordid cdi_proquest_journals_2099652493
source AIP Journals Complete; Alma/SFX Local Collection
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
url https://sfx.bib-bvb.de/sfx_tum?ctx_ver=Z39.88-2004&ctx_enc=info:ofi/enc:UTF-8&ctx_tim=2024-12-29T01%3A17%3A25IST&url_ver=Z39.88-2004&url_ctx_fmt=infofi/fmt:kev:mtx:ctx&rfr_id=info:sid/primo.exlibrisgroup.com:primo3-Article-proquest_cross&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.genre=article&rft.atitle=Bimolecular%20multistage%20diffusion-influenced%20chemical%20reactions%20proceeding%20from%20different%20sites%20in%20solutions.%20I.%20Rate%20constants&rft.jtitle=The%20Journal%20of%20chemical%20physics&rft.au=Doktorov,%20Alexander%20B.&rft.date=2018-09-07&rft.volume=149&rft.issue=9&rft.spage=094102&rft.epage=094102&rft.pages=094102-094102&rft.issn=0021-9606&rft.eissn=1089-7690&rft.coden=JCPSA6&rft_id=info:doi/10.1063/1.5040015&rft_dat=%3Cproquest_cross%3E2099652493%3C/proquest_cross%3E%3Curl%3E%3C/url%3E&disable_directlink=true&sfx.directlink=off&sfx.report_link=0&rft_id=info:oai/&rft_pqid=2099652493&rft_id=info:pmid/30195296&rfr_iscdi=true