| Texto completo | |
| Autor(es): |
Silva, Silvia G. S.
[1]
;
Vichietti, Rafael M.
[2]
;
Haiduke, Roberto L. A.
[3]
;
Machado, Francisco B. C.
[2]
;
Spada, Rene F. K.
[4]
Número total de Autores: 5
|
| Afiliação do(s) autor(es): | [1] Univ Fed Espirito Santo, Dept Fis, BR-29075910 Vitoria, ES - Brazil
[2] Inst Tecnol Aeronaut, Dept Quim, BR-12228900 Sao Jose Dos Campos, SP - Brazil
[3] Univ Sao Paulo, Inst Quim Sao Carlos, Dept Quim & Fis Mol, BR-13560970 Sao Carlos, SP - Brazil
[4] Inst Tecnol Aeronaut, Dept Fis, BR-12228900 Sao Jose Dos Campos, SP - Brazil
Número total de Afiliações: 4
|
| Tipo de documento: | Artigo Científico |
| Fonte: | Monthly Notices of the Royal Astronomical Society; v. 497, n. 4, p. 4486-4494, OCT 2020. |
| Citações Web of Science: | 1 |
| Resumo | |
Based on typical physical and chemical conditions expected in massive and dense hot cores during the protostar collapse, the formation of glycolaldehyde (CH2OHCHO) and methanol (CH3OH) was investigated from H-2 and CO and formaldehyde (H2CO) as an intermediate. Thermochemical properties and rate constants were obtained for gas-phase reactions using highlevel electronic structure methods and chemical kinetic calculations, and the concentrations of the molecules were evolved along time. The chemical equilibrium was reached in minutes at 1500 K, a time interval much shorter than that required time for a protostar formation process. The results indicate that the formaldehyde and methanol abundances are always larger than those for glycolaldehyde, for example, at 2000 K and {[}H-2](0) equals to 10(23) molecule cm(-3), the abundances of H2CO, CH3OH, and CH2OHCHO relative to H-2 are equal to 3 x 10(-6), 5 x 10(-6), and 1 x 10(-12), while for {[}H-2](0) equals to 10(20) molecule cm(-3) these abundances are 3 x 10(-9), 5 x 10(-12), and 2 x 10(-21), respectively. Considering that our results can be applied to explain the proximity of methanol and formaldehyde maser emissions, from the whole set of results, the CH3OH abundance relative to H2CO ranges from 10(-3) to 10(2). (AU) | |
| Processo FAPESP: | 19/07671-4 - Estudo teórico de moléculas em ambientes astrofísicos |
| Beneficiário: | Rene Felipe Keidel Spada |
| Modalidade de apoio: | Auxílio à Pesquisa - Regular |
| Processo FAPESP: | 18/05691-5 - Aplicação de métodos de química quântica no estudo de possíveis rotas de formação de pequenos sistemas moleculares em diferentes ambientes astrofísicos |
| Beneficiário: | Rafael Mario Vichietti |
| Modalidade de apoio: | Bolsas no Brasil - Pós-Doutorado |
| Processo FAPESP: | 14/23714-1 - Cálculos relativísticos de estrutura eletrônica para avaliação de novos conjuntos de funções de base sem prolapso variacional |
| Beneficiário: | Roberto Luiz Andrade Haiduke |
| Modalidade de apoio: | Auxílio à Pesquisa - Regular |