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Analysis of Vapor-Liquid Interfacial Transport Resistivities with DGT-PC-SAFT Based on the General Approach
Jiangsu Key Laboratory of Process Enhancement and New Energy Equipment Technology School of Mechanical and Power Engineering, Nanjing Tech University, No. 30 Pu Zhu South Road, Nanjing 211816, PR China.ORCID iD: 0000-0002-3201-8323
Jiangsu Key Laboratory of Process Enhancement and New Energy Equipment Technology School of Mechanical and Power Engineering, Nanjing Tech University, No. 30 Pu Zhu South Road, Nanjing 211816, PR China.
Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science.ORCID iD: 0000-0002-0200-9960
State Key Laboratory of Materials-Oriented Chemical Engineering, Nanjing Tech University, Nanjing 210009, P. R. China.
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2022 (English)In: Industrial & Engineering Chemistry Research, ISSN 0888-5885, E-ISSN 1520-5045, Vol. 61, no 43, p. 16352-16367Article in journal (Refereed) Published
Abstract [en]

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.

Place, publisher, year, edition, pages
American Chemical Society , 2022. Vol. 61, no 43, p. 16352-16367
National Category
Physical Chemistry
Research subject
Energy Engineering
Identifiers
URN: urn:nbn:se:ltu:diva-93791DOI: 10.1021/acs.iecr.2c02839ISI: 000873958200001Scopus ID: 2-s2.0-85140324353OAI: oai:DiVA.org:ltu-93791DiVA, id: diva2:1708338
Note

Validerad;2022;Nivå 2;2022-11-03 (sofila);

Funder: Jiangsu Funding Program for Excellent Postdoctoral Talent

Available from: 2022-11-03 Created: 2022-11-03 Last updated: 2022-11-10Bibliographically approved

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Ji, Xiaoyan

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