resumo
A thermodynamic study of important biogenic compounds, (-)-alpha-pinene, (-)-beta-pinene, (-)-cis-verbenol, and (-)-verbenone, is presented in this work. The vapor pressure measurements were performed using the static method over the environmentally important temperature range from 238 to 313 K. The sublimation and vaporization enthalpies were derived from these measurements as well as directly determined by a Calvet high temperature microcalorimeter. Heat capacities of condensed phases were measured by Calvet and drop calorimetry in the temperature interval from 273 to 355 K. The thermodynamic properties of the ideal-gas state were calculated by combining statistical thermodynamics and density functional theory (DFT) calculations. The trends in thermodynamic properties within the group of compounds possessing similar molecular structures are discussed. (C) 2013 Elsevier Ltd. All rights reserved.
palavras-chave
VAPOR-LIQUID-EQUILIBRIA; HEAT-CAPACITY; SMALL SAMPLES; BETA-PINENE; PRESSURE; CALORIMETER; NAPHTHALENE; TERPENES; DESIGN
categoria
Thermodynamics; Chemistry
autores
Stejfa, V; Fulem, M; Ruzicka, K; Cervinka, C; Rocha, MAA; Santos, LMNBF; Schroder, B
nossos autores
Bernd Schroder
Bolseiro de pós-DoutoramentoGrupos
agradecimentos
We thank Vladimir Diky and Ala Bazyleva for providing the program StatTD. This work was supported by the Ministry of Education of the Czech Republic under project ME10049. Bernd Schroder and Marisa A.A. Rocha acknowledge FCT - Fundacao para a Ciencia e a Tecnologia and the European Social Fund (ESF) under the 3rd Community Support Framework (CSF) for the project PTDC/AAC-AMB/121161/2010 and for the research grants, SFRH/BPD/38637/2007 and SFRH/BD/60513/2009.