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In this work we present an efficient numerical algorithm for the solution ofinterfacial statistical associating fluid theory (iSAFT) in cylindricalgeometry to facilitate the study of inhomogeneous fluids having curvatures. Thenew solution algorithm is shown to have a better time scaling than the ellipticfunction method by Malijevsky, and the transform method by Lado. Convergence,performance, and stability of the numerical algorithm are discussed. Weshowcase two representative applications of the new method for modeling fluidadsorption and bottlebrush polymers. By comparing iSAFT with molecularsimulation results, we found that iSAFT predicts layering transitions above thetriple point for methane adsorption, and it captures power-law to parabolictransitions for polymers brush microstructure. We conclude that the continuousdevelopment of solution algorithm for iSAFT enables researchers to investigatecurvature effects for fluids in efficient manners.

An Efficient Algorithm for Interfacial Statistical Associating Fluid (iSAFT) in Cylindrical Geometry