Use of the Maximum Likelihood Method for Composition Data Analysis in the Radical Copolymerization Terminal Model

• Published in: Macromolecular theory and simulations Vol. 10; no. 4; pp. 374 - 380
• Main Authors: Oracz, Paweł, Kaim, Andrzej
• Format: Journal Article
• Language: English
• Published: Weinheim WILEY-VCH Verlag GmbH 01.04.2001; WILEY‐VCH Verlag GmbH; Wiley
• Subjects: Applied sciences; Computer simulation; Copolymerization; Data processing; Error analysis; Exact sciences and technology; Mathematical models; Organic polymers; Physicochemistry of polymers; Preparation, kinetics, thermodynamics, mechanism and catalysts; Radicals; Random errors; Terminals; Theoretical study; Copolymerization; Maximum likelihood; Error estimation; Computing method; Reactivity ratio
• ISSN: 1022-1344; 1521-3919
• DOI: 10.1002/1521-3919(20010401)10:4<374::AID-MATS374>3.0.CO;2-N

A method based on the maximum likelihood principle has been used for the estimation of reactivity ratios in the terminal model of copolymerization from experimental composition data. This method assumes explicitly that all measured variables are subject to errors. If correct estimates of experimental errors are used the best values of parameters are obtained. In addition, this method can also be used for the copolymerization model validation and/or evaluation of the accuracy of the experimental data. The application of the method is illustrated using simulated data disturbed with random errors.