Analysis of Vapor-Liquid Interfacial Transport Resistivities with DGT-PC-SAFT Based on the General Approach

Yunhao Sun, Xian Tang, Xiaoyan Ji, Xiaohua Lu, Xiang Ling

Research output: Contribution to journalArticlepeer-review

2 Scopus citations

Abstract

In this work, the DGT-PC-SAFT model was applied to calculate the interfacial transport resistivities between the vapor-liquid interface. In order to calculate the interfacial transport resistivities with DGT-PC-SAFT stably and efficiently, the general approach was combined with the Chebyshev spectral collocation method to solve the density profile using density gradient theory (DGT). Investigations have shown that using a suitable conformal map in the Chebyshev spectral collocation method can significantly reduce the collocation points required for the calculation of interfacial transport resistivities. Based on the developed algorithm, interfacial transport resistivities of n-Alkane/nitrogen mixtures were predicted. However, the results revealed a certain deviation compared with those calculated with DFT-PC-SAFT, and the reason for this is discussed in this paper.

Original languageEnglish
Pages (from-to)16352-16367
Number of pages16
JournalIndustrial and Engineering Chemistry Research
Volume61
Issue number43
DOIs
StatePublished - 2 Nov 2022

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