Revisiting dibenzothiophene thermochemical data: Experimental and computational studies

resumo

Thermochemical data of dibenzothiophene were studied in the present work by experimental techniques and computational calculations. The standard (p degrees = 0.1 MPa) molar enthalpy of formation, at T = 298.15 K, in the gaseous phase, was determined from the enthalpy of combustion and sublimation, obtained by rotating bomb calorimetry in oxygen, and by Calvet microcalorimetry, respectively. This value was compared with estimated data from G3(MP2)//B3LYP computations and also with the other results available in the literature. (C) 2009 Elsevier Ltd. All rights reserved.

palavras-chave

CALVET-TYPE CALORIMETER; SULFUR-COMPOUNDS; VAPOR-PRESSURES; THERMODYNAMIC PROPERTIES; DISTILLATE FUELS; BOMB CALORIMETRY; HYDRODESULFURIZATION; ENTHALPIES; COMBUSTION; REACTIVITIES

categoria

Thermodynamics; Chemistry

autores

Freitas, VLS; Gomes, JRB; da Silva, MDMCR

nossos autores

agradecimentos

Thanks are due to Fundacao para a Ciencia e Tecnologia (FCT), Lisbon, Portugal, for financial support to Centro de Investigacao em Quimica - UP and to CICECO. V.L.S. Freitas thanks FCT and European Social Fund for the award of a Ph.D. Research Grant SFRH/BD/41672/2007.

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