Estimation of the enthalpy of vaporization of organic components as a function of temperature using a new group contribution method

Artificial Neural Network-Group Contribution Method for Predicting Standard Enthalpy of Formation in the Solid State: C–H, C–H–O, C–H–N, and C–H–N–O Compounds

“…In the literature, there are many fragmentation schemes which are used to develop a group contribution method [25,27,[33][34][35][36]. One of the better group contribution schemes was developed by Marrero and Gani [27].…”

Kinetic and thermodynamic studies of HMF-ester synthesis using Brønsted–Lewis acidic ionic liquid catalyst

“…47 However, the determination of the thermodynamic properties of the biodiesel or biodiesel/biodiesel blends is impractical and difficult. 40 Therefore, thermodynamic models based on the correlations, 48 group contribution techniques, [49][50][51][52] and the method based on the principle of corresponding states are very helpful to estimate these properties with more accurate results. 53 Among all these, the GCMs are the most successful predictive methods and can be selected as promising for the estimation of the thermodynamic properties, which were developed in 1950s.…”

Estimation of Vapor Pressures and Enthalpies of Vaporization of Biodiesel-Related Fatty Acid Alkyl Esters. Part 1. Evaluation of Group Contribution and Corresponding States Methods

“…Most of the existing models capable of estimating vapor pressures and enthalpies of vaporization of FAAES can be divided into three main categories: correlations Group Contribution techniques − methods based on the Corresponding States Principle − Despite the highest accuracy of the methods in the first category, their applicability is limited by the lack of correlation coefficients for all FAAES. Yuan et al have reported a compilation of Antoine equation parameters for 14 fatty acid methyl esters (FAMES).…”

“…The summation in eq 3 goes over all the data (N data ) considered in the estimation. Noteworthy is the fact that the values of N data varied among the studied models, because some methods required input properties that are 13 KRG GC X Basarǒva/Svoboda 11 BS GC X X Tu/Liu 12 TL GC X X Benkouider et al 14 BRSAF GC X X Dalmazzone et al 15 DSG GC X X Ulbig et al 16,17 UNIVAP GC X Ceriani et al 18 CGL GC X X X X Wang et al 20 WMJS2 GC X X Carruth/Kobayashi 24 CK CSP X X Sivaraman et al 25 SMK CSP X X Morgan/Kobayashi 26 MK CSP X X Morgan 27 M CSP X X Cachadinã/Mulero missing for some esters. As we decided to consider only experimental values of T b , T c and P c , the application of these models was not possible in some cases.…”