Accelerate the Electrolyte Perturbed-Chain Statistical Associating Fluid Theory–Density Functional Theory Calculation With the Chebyshev Pseudo-Spectral Collocation Method. Part II. Spherical Geometry and Anderson Mixing

To improve the efficiency of electrolyte perturbed-chain statistical associating fluid theory–density functional theory (ePC-SAFT-DFT) calculation of the confined system, in this work, first, the Chebyshev pseudo-spectral collocation method was extended to the spherical pores. Second, it was combine...

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Detalles Bibliográficos
Autores principales: Sun, Yunhao, Dai, Zhengxing, Shen, Gulou, Lu, Xiaohua, Ling, Xiang, Ji, Xiaoyan
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Frontiers Media S.A. 2022
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8818718/
https://www.ncbi.nlm.nih.gov/pubmed/35141203
http://dx.doi.org/10.3389/fchem.2021.801551

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