Searched for: subject%3A%22Solubility%255C%2Bparameter%22
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Chen, X. (author), Yuan, C. (author), Wong, C.K.Y. (author), Zhang, G. (author)
A molecular modeling strategy is proposed to describe the temperature (T) dependence of solubility parameter (δ) for the amorphous polymers which exhibit glass-rubber transition behavior. The commercial forcefield "COMPASS" is used to support the atomistic simulations of the polymer. The temperature dependence behavior of δ for the polymer is...
article 2012
Chen, X.P. (author), Yuan, C.A. (author), Wong, C.K.Y. (author), Koh, S.W. (author), Zhang, G.Q. (author)
We report a molecular modelling study to validate the forcefields [condensed-phase optimised molecular potentials for atomistic simulation studies (COMPASS) and polymer-consistent forcefield (PCFF)] in predicting the physical and thermophysical properties of polymers. This work comprises of two key steps: (1) generating and validating the...
article 2011
Vink, P. (author), Bots, T.L. (author), TNO Industrie (author)
Research was carried out aimed at the development of self-stratifying paints for steel which after application during film formation spontaneously form two well established layers of primer and top coat. The parameters affecting stratification were investigated for combinations of epoxy resins and physically drying binders. Incompatibility of...
article 1996