Dear Colleagues
Does anyone have experiece with commercially available sofware developed for simulating muli-component copolymerization kinetics, composition, viscosity, conversion etc. calculations? Looking forward to hearing from you on your experience regarding correctness and applicability. Gyorgy
To my knowledge there is equation can help to know what is the Tg of your copolymer
Thanks
In your question, you do not specify if the software belongs to the group of programs for which you have to pay for .
In your question, you do not specify if the copolymer is obtained by condensation or by addition
Fifteen years ago ,, Ray and coworkers (Wisconsin Univ.) developed a computer program called POLYRED which gave state-of-the-art results. At page 16, I read """""""" it will be at least a factor two or three wider than the Stockmayer’s value in eq. 21.With such values of the CODIHI’s variance, it is absolutely apparent that copolymerization at high conversion cannot be described by a Markovian chain of any order. In fact, the feed fA will change with time and thus copolymer chains produced at different time will have different compositions. The system is governed by a set of ordinary differential equations. Kuchanov studied them in some detail and reported the results in his review. The composition can be represented as a point in a (z-1) dimensional phase space. It is possible to follow its changes by drawing their trajectories in a multidimensional phase space. In the case of ABC copolymers, the space is a triangle with unit-length sides.
I think Material Studio in which you can simulate structures of the polymer and copolymer. You can download the demo version I hope you will find it better. However the demo version is not provided with all function and it can be run in window xp.
Dear Colleagues
Thank you for the futher notes. I am primaiirly interested in radical copolmyerization in bulk with at least 5-6 comonomers, including crosslinkers with 2-3 unsaturation. It is a bonus if the program has built-in rate constants for common acrylates. I am interested not only in free programs.
This is another book that I could not attach it together with the first one. Regards
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