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1. Identity statement Reference Type Journal Article Site mtc-m21c.sid.inpe.br Holder Code isadg {BR SPINPE} ibi 8JMKD3MGPCW/3DT298S Identifier 8JMKD3MGP3W34R/3TGJDT2 Repository sid.inpe.br/mtc-m21c/2019/06.21.18.36   (restricted access) Last Update 2019:06.21.18.36.35 (UTC) simone Metadata Repository sid.inpe.br/mtc-m21c/2019/06.21.18.36.35 Metadata Last Update 2020:01.06.11.42.15 (UTC) administrator DOI 10.1002/kin.21279 ISSN 0538-8066 Citation Key AlbernazSilvBarrCorr:2019:ThRaCo Title Thermal rate constant for the C(𝟑P) + OH(X𝟐𝚷) → CO(X𝟏𝚺) + H(𝟐S) reaction using stochastic energy grained master equation method Year 2019 Access Date 2024, May 13 Type of Work journal article Secondary Type PRE PI Number of Files 1 Size 630 KiB 2. Context Author 1 Albernaz, Alessandra F. 2 Silva, Washington B. da 3 Barreto, Patrícia Regina Pereira 4 Correa, Eberth Resume Identifier 1 2 3 8JMKD3MGP5W/3C9JJ2S ORCID 1 0000-0002-8258-8586 Group 1 2 3 LABAP-COCTE-INPE-MCTIC-GOV-BR Affiliation 1 Universidade de Brasília (UnB) 2 Instituto Federal de Educação, Ciência e Tecnologia de Brasília (IFB) 3 Instituto Nacional de Pesquisas Espaciais (INPE) 4 Universidade de Brasília (UnB) Author e-Mail Address 1 alessandra@fis.unb.br 2 3 patricia.barreto@inpe.br Journal International Journal of Chemical Kinetics Volume 51 Number 8 Pages 590-601 Secondary Mark B3_QUÍMICA History (UTC) 2019-06-21 18:37:22 :: simone -> administrator :: 2019 2020-01-06 11:42:15 :: administrator -> simone :: 2019 3. Content and structure Is the master or a copy? is the master Content Stage completed Transferable 1 Content Type External Contribution Version Type publisher Keywords C+OH reaction HCO and HOC radicals thermal rate constant master equation Abstract In the present work, the kinetic mechanism of the reaction is studied. The rate constants were determined using the Master Equation Solver for Multi-Energy Well Reactions (MESMER). The master equation modeling was also employed to examine the pressure dependence for each pathway involved. The theoretical analysis shows that the overall rate coefficient is practically independent of pressure up to 100 Torr for the temperature range 125-500 K. The unusual dependence of the overall rate constant with temperature was fit with the 𝑑-Arrhenius expression 𝑘(𝑇 ) = 𝐴[1 − 𝑑⋅𝐸0 𝑅𝑇 ] 1 𝑑 , where 𝐴 = 5.21 × 10−11 cm3molecule−1s−1, 𝑑 = 2.12, and 𝐸0 = −0.749 kJ⋅mol−1, for 125≤ T ≤ 500 K. The thermal rate constant results are in relatively good agreement with other theoretical studies. Area FISPLASMA Arrangement urlib.net > BDMCI > Fonds > Produção anterior à 2021 > LABAP > Thermal rate constant... doc Directory Content access source Directory Content there are no files agreement Directory Content agreement.html 21/06/2019 15:36 1.0 KiB  4. Conditions of access and use Language en Target File Albernaz_et_al-2019-International_Journal_of_Chemical_Kinetics.pdf User Group simone Reader Group administrator simone Visibility shown Read Permission deny from all and allow from 150.163 Update Permission not transferred 5. Allied materials Next Higher Units 8JMKD3MGPCW/3ET2RFS Citing Item List sid.inpe.br/mtc-m21/2012/07.13.14.57.42 1 Host Collection urlib.net/www/2017/11.22.19.04 6. Notes Empty Fields alternatejournal archivingpolicy archivist callnumber copyholder copyright creatorhistory descriptionlevel dissemination e-mailaddress format isbn label lineage mark mirrorrepository month nextedition notes parameterlist parentrepositories previousedition previouslowerunit progress project rightsholder schedulinginformation secondarydate secondarykey session shorttitle sponsor subject tertiarymark tertiarytype url 7. Description control e-Mail (login) simone update

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