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
Frontiers in Chemistry（2022）
Key words
density functional theory,algorithm,ionic liquids,CO2,electrolyte perturbed-chain statistical associating fluid theory (ePC-SAFT)
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