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Parameter estimation in simultaneous phase and reaction equilibria
Author(s) -
Dovì V. G.,
Reverberi A. P.
Publication year - 1992
Publication title -
the canadian journal of chemical engineering
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.404
H-Index - 67
eISSN - 1939-019X
pISSN - 0008-4034
DOI - 10.1002/cjce.5450700420
Subject(s) - convergence (economics) , process (computing) , computer science , class (philosophy) , estimation theory , phase (matter) , mathematics , mathematical optimization , estimation , algorithm , chemistry , artificial intelligence , engineering , economics , economic growth , organic chemistry , systems engineering , operating system
The estimation of parameters of models describing simultaneous phase and reaction equilibria is generally difficult to accomplish, due to strong correlation between the parameters. We show in this paper that these models possess intermediate properties between reduced and implicit models. This makes it convenient to develop ad‐hoc algorithms for this class of problems which are of considerable importance in process design. We present a method for parameter estimation based on implicit differentiation, which makes it possible to use a gradient algorithm with respect to a reduced number of parameters, which greatly enhances global convergence.