Questions tagged [polymers]
Questions related to polymers.
5
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Statistical properties of semi-flexible polymers
I am reading Statistical Physics of Particles by Kardar. I am struggling with problem 12d, in chapter 2, about semi-flexible polymers in two dimensions. The problem is as follows:
Configurations of a ...
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Diblock building in Biovia material studio
I am trying to build polystyrene and polyethylenepropylene diblock chains.
When I assign head and tail and build diblock chain I could see that the atom numbers get flipped, meaning that head and tail ...
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How do I validate and benchmark a new protein or polymer model?
Suppose I designed a novel coarse-grained model of polymer chains.
How can I test the validity of my novel model?
Is there any applied framework available?
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Simulate liquid solvent mobility through a gel polymer electrolyte
I would like to simulate a liquid solvent (such as TEGDME) embedded into a polymeric cage (such as PEGDM). What is the most meaningful approach to estimate transport properties in such a system?
Three ...
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Band Gap Calculation for conjugated polymers
How to calculate HOMO-LUMO band gap for conjugated polymers using Gaussian? is there any specific keyword for the same?
Based on the optimization output the Alpha occ eigenvalue (max) = -0.17661eV and ...
