2024
DOI: 10.1021/acs.langmuir.3c01741
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Local Structure of Nonuniform Fluid Mixtures Containing Associating and Chainlike Molecules from a Multilayer Quasichemical Model

Polina O. Sorina,
Alexey I. Victorov

Abstract: In this work, we develop a theory for predicting details of the local structure in nonuniform multicomponent fluids that may contain chainlike and associating components. This theory is an extension�to the fluid interfaces and mesoscopic structures of different geometry�of the multilayer quasichemical model originally proposed by Smirnova to describe liquid solution in the vicinity of a planar solid wall. The basis of the theory is the "cut-and-bond" approach, much in spirit of SAFT, where an infinite attracti… Show more

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