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The solution of adsorption integral equations by means of the regularization method
Author(s) -
Szombathely M.V.,
Bräuer P.,
Jaroniec M.
Publication year - 1992
Publication title -
journal of computational chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.907
H-Index - 188
eISSN - 1096-987X
pISSN - 0192-8651
DOI - 10.1002/jcc.540130104
Subject(s) - regularization (linguistics) , adsorption , integral equation , mathematics , distribution function , distribution (mathematics) , mathematical analysis , computer science , thermodynamics , chemistry , physics , artificial intelligence
An overall adsorption quantity for a heterogeneous solid is usually expressed by an integral equation, which contains a distribution function that describes heterogeneous properties of this solid. The calculation of this distribution function is an ill‐posed problem. The current article shows that the difficulties arising from the ill‐posed nature of an adsorption equation can be overcome with the regularization method. This work presents general principles of regularization for solving the ill‐posed problems without detailed mathematical considerations. The application of the regularization method to calculate a distribution function from any overall adsorption functions is illustrated with both simulated and experimental adsorption isotherms.