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Implicit function theorem and Jacobians in solvation and adsorption
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| Journal | Physica A: Statistical Mechanics and its Applications |
|---|---|
| Date | Submitted - 19 Nov 2020 |
| Date | Accepted/In press - 30 Jan 2021 |
| Date | E-pub ahead of print (current) - 1 Feb 2021 |
| Date | Published - 1 May 2021 |
| Volume | 570 |
| Early online date | 1/02/21 |
| Original language | English |
Abstract
The use of Jacobians in chemical thermodynamics has focused chiefly on explicit functions. We generalize this powerful method to incorporate implicit functions. Considering a slight deviation from equilibrium, governed by the Gibbs-Duhem equations, is demonstrated to simplify the theories of preferential solvation and adsorption significantly. Since these deviations are zero at equilibrium, implicit function theorem can be applied by postulating their differentiability. A generalization to multiple component solutions is straightforward by virtue of Jacobians and the implicit function theorem.
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©2021 Elsevier B.V.All rights reserved.This is an author-produced version of the published paper. Uploaded in accordance with the publisher’s self-archiving policy.
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