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Theory of electrophoretic separations. Part II: Construction of a numerical simulation scheme and its applications
Author(s) -
Palusinski O. A.,
Graham A.,
Mosher R. A.,
Bier M.,
Saville D. A.
Publication year - 1986
Publication title -
aiche journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.958
H-Index - 167
eISSN - 1547-5905
pISSN - 0001-1541
DOI - 10.1002/aic.690320207
Subject(s) - computation , ordinary differential equation , stability (learning theory) , set (abstract data type) , algebraic number , scheme (mathematics) , nonlinear system , algebraic equation , mathematics , numerical integration , boundary (topology) , electrophoresis , computer science , differential equation , algorithm , mathematical analysis , physics , chemistry , chromatography , quantum mechanics , machine learning , programming language
The mathematical model outlined in Part I is recast in a form suitable for numerical computation. The spatial derivatives are replaced by finite‐difference expressions, which leads to a set of ordinary differential equations coupled to a set of nonlinear algebraic relations. This system is solved using existing integration techniques. The resulting algorithm simulates the characteristic behavior of the classical modes of electrophoresis, which is shown by examples involving moving boundary electrophoresis and isoelectric focusing. In the first example two different integration schemes are used and their accuracy and stability investigated. The second example illustrates the versatility of the methodology.