TY - JOUR
T1 - Analysis of Vapor-Liquid Interfacial Transport Resistivities with DGT-PC-SAFT Based on the General Approach
AU - Sun, Yunhao
AU - Tang, Xian
AU - Ji, Xiaoyan
AU - Lu, Xiaohua
AU - Ling, Xiang
N1 - Publisher Copyright:
© 2022 American Chemical Society. All rights reserved.
PY - 2022/11/2
Y1 - 2022/11/2
N2 - 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.
AB - 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.
UR - http://www.scopus.com/inward/record.url?scp=85140324353&partnerID=8YFLogxK
U2 - 10.1021/acs.iecr.2c02839
DO - 10.1021/acs.iecr.2c02839
M3 - 文章
AN - SCOPUS:85140324353
SN - 0888-5885
VL - 61
SP - 16352
EP - 16367
JO - Industrial and Engineering Chemistry Research
JF - Industrial and Engineering Chemistry Research
IS - 43
ER -