Re: CCL:Alternative to dielectric for polarization in Poisson equation.



 Don,
 
my COSMO-RS is exactly made for the corrections of the dielectric model beyond the limits of dielectric continuum solvation. A list of relevant papers can be found on our home page. I suggest that you first have a look to the papers and we then discuss the specific applicability of COSMO-RS to your problem.
 Regards
 Andreas
 Don Steiger wrote:
 
 Hello,
 I would like to use the Poisson Boltzmann equation to model
 polymerization.  This approach requires the use of a dielectric value for
 the monomers.  When the monomers are far apart, this may produce
 reasonable results.  However, as the monomers approach each other, a
 constant scalar dielectric model will break down.  Does anybody know of
 any papers that correct for polarization using some other approach?
 Thanks,
 Don
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