Outline robust methodologies to determine reactivity ratios, combining experimental procedures with correct data evaluation.
The methodologies are mainly focused on the terminal model, but model discrimination is also included. The emphasis is on proper design of experiments, error estimation of the obtained data, validity test of the model applied, followed by correct statistical reactivity ratio estimation.
The rationale for this project is that many polymer chemists still use unreliable and outdated methodologies to obtain reactivity ratios, including poor experimental design, incorrect statistical procedures, and failure to account for uncertainties in the experimental data. There is thus a clear need for a standardized, easy to implement and unbiased method for the determination of reactivity ratios in copolymerization.
The project will make use of the combined expertise of the members to define proper experimental design, experimental procedures, error estimation and statistical methods to determine reactivity ratios. Utilizing simulated data, these statistical methods can be validated and pitfalls identified. Retrospectively we will reanalyze some data sets to show again the issues in the area. Then we will capture most of the IUPAC recommended methodology in software to be freely disseminated. The easy accessibility of the methodology will be achieved by a website and free software.
Dec 2019 update – The task group held their first meeting in Singapore, on 8 Dec 2019.
Feb 2020 – Project announcement published in Chem Int Jan 2020, p. 29
Page last update 12 Feb 2020