Revisiting dibenzothiophene thermochemical data: Experimental and computational studies

abstract

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.

keywords

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

subject category

Thermodynamics; Chemistry

authors

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

our authors

acknowledgements

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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