Thermodynamic study of selected monoterpenes IV
Popis výsledku
Identifikátory výsledku
Kód výsledku v IS VaVaI
Výsledek na webu
https://www.sciencedirect.com/science/article/pii/S0021961419308109
DOI - Digital Object Identifier
Alternativní jazyky
Jazyk výsledku
angličtina
Název v původním jazyce
Thermodynamic study of selected monoterpenes IV
Popis výsledku v původním jazyce
An extensive thermodynamic study of three monoterpenes, (−)-menthone, (+)-pulegone, and (−)-isopulegol, is presented in this work. Phase behaviour was investigated by a heat-flux differential scanning calorimetry (DSC) from 183 K resulting in detection of polymorphic behaviour of (−)-isopulegol and a noticeably slow crystallization of (+)-pulegone. Two static apparatus were employed for the vapour pressure measurements over a wide temperature range including environmentally important ambient temperatures. Heat capacities of liquid phase were measured by Tian-Calvet calorimetry at temperatures between 266 K and 353 K. Conformational space of the compounds was examined using the density functional theory (DFT) calculations and the ideal-gas thermodynamic properties were subsequently calculated using statistical thermodynamics. A consistent thermodynamic description was developed using the method of simultaneous correlation, where the experimental data for phase behaviour, vapour pressures, and condensed phase heat capacities and calculated ideal-gas heat capacities are treated together. © 2019 Elsevier Ltd
Název v anglickém jazyce
Thermodynamic study of selected monoterpenes IV
Popis výsledku anglicky
An extensive thermodynamic study of three monoterpenes, (−)-menthone, (+)-pulegone, and (−)-isopulegol, is presented in this work. Phase behaviour was investigated by a heat-flux differential scanning calorimetry (DSC) from 183 K resulting in detection of polymorphic behaviour of (−)-isopulegol and a noticeably slow crystallization of (+)-pulegone. Two static apparatus were employed for the vapour pressure measurements over a wide temperature range including environmentally important ambient temperatures. Heat capacities of liquid phase were measured by Tian-Calvet calorimetry at temperatures between 266 K and 353 K. Conformational space of the compounds was examined using the density functional theory (DFT) calculations and the ideal-gas thermodynamic properties were subsequently calculated using statistical thermodynamics. A consistent thermodynamic description was developed using the method of simultaneous correlation, where the experimental data for phase behaviour, vapour pressures, and condensed phase heat capacities and calculated ideal-gas heat capacities are treated together. © 2019 Elsevier Ltd
Klasifikace
Druh
Jimp - Článek v periodiku v databázi Web of Science
CEP obor
—
OECD FORD obor
10403 - Physical chemistry
Návaznosti výsledku
Projekt
Návaznosti
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)
Ostatní
Rok uplatnění
2020
Kód důvěrnosti údajů
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Údaje specifické pro druh výsledku
Název periodika
Journal of Chemical Thermodynamics
ISSN
0021-9614
e-ISSN
—
Svazek periodika
144
Číslo periodika v rámci svazku
May
Stát vydavatele periodika
US - Spojené státy americké
Počet stran výsledku
11
Strana od-do
106013
Kód UT WoS článku
000517501200033
EID výsledku v databázi Scopus
2-s2.0-85079389059
Základní informace
Druh výsledku
Jimp - Článek v periodiku v databázi Web of Science
OECD FORD
Physical chemistry
Rok uplatnění
2020