Predicting thermophysical properties of mono- and diglycerides with the chemical constituent fragment approach

Li Zong, Sundaram Ramanathan, Chau Chyun Chen

Research output: Contribution to journalArticlepeer-review

26 Scopus citations

Abstract

A novel chemical constituent fragment approach is used to estimate thermophysical properties for mono- and diglycerides from fragment composition and fragment-specific parameters. The monoglycerol and diglycerol fragment parameters are obtained from regressing against very limited available experimental data for mono- and diglycerides in the literature while fatty acid fragment parameters are obtained from an earlier investigation for estimating thermophysical properties of triglycerides [Zong et al. Ind. Eng. Chem. Res. 2010, 49, 876-886; Zong et al. Ind. Eng. Chem. Res. 2010, 49, 3022-3023]. Built on this methodology, we develop mono- and diglyceride thermophysical property parameters for vapor pressure, enthalpy and Gibbs free energy of vaporization, liquid heat capacity, heat of fusion, enthalpy of formation, and liquid molar volume. Combined with the results of the earlier investigation on triglycerides [Zong et al. Ind. Eng. Chem. Res. 2010, 49, 876-886; Zong et al. Ind. Eng. Chem. Res. 2010, 49, 3022-3023], the derived parameters and the corresponding databank enable reliable and efficient thermophysical property calculations in support of process modeling, simulation, design, and optimization of biodiesel production processes.

Original languageEnglish
Pages (from-to)5479-5484
Number of pages6
JournalIndustrial and Engineering Chemistry Research
Volume49
Issue number11
DOIs
StatePublished - Jun 2 2010

Fingerprint

Dive into the research topics of 'Predicting thermophysical properties of mono- and diglycerides with the chemical constituent fragment approach'. Together they form a unique fingerprint.

Cite this