Author:
Andersons Tomass,Sawall Mathias,Neymeyr Klaus
Abstract
AbstractIn 1985 Borgen and Kowalski published a geometry-based mathematical approach in order to determine the set of feasible solutions of the multivariate curve resolution problem for chemical systems with three species. Twenty years later Rajkó and István devised an algorithm for the analytical derivation of the feasible regions. They showed that the precise boundary of the solution set is piecewise representable in terms of analytical expressions for the boundary curve. This paper generalizes the approach for finding analytical boundary curves by means of duality arguments, provides the precise functional form of the curves in detail, shows how to determine the contact change values and suggests improved analytical expressions which can numerically be evaluated in a stable way. Additionally, it offers detailed instructions for an algorithmic solution and provides the underlying analysis. A program code is presented which generates a piecewise functional representation of the boundary curve.
Publisher
Springer Science and Business Media LLC
Subject
Applied Mathematics,General Chemistry
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