TY - JOUR
T1 - Implicit function theorem and Jacobians in solvation and adsorption
AU - Shimizu, Seishi
AU - Matubayasi, Nobuyuki
N1 - ©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.
PY - 2021/5/1
Y1 - 2021/5/1
N2 - 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.
AB - 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.
U2 - 10.1016/j.physa.2021.125801
DO - 10.1016/j.physa.2021.125801
M3 - Article
SN - 0378-4371
VL - 570
JO - Physica A: Statistical Mechanics and its Applications
JF - Physica A: Statistical Mechanics and its Applications
M1 - 125801
ER -