You are here: HomeResearch topicsComputational biochemistry and soft matterLine 3 highlightsLine 3 highlights 2016Dealing with long-range interactions in the determination of polyelectrolyte ionization properties. Extension of the transfer matrix formalism to the full range of ionic strengths

Dealing with long-range interactions in the determination of polyelectrolyte ionization properties. Extension of the transfer matrix formalism to the full range of ionic strengths

 

J. L. Garcés, S. Madurga, C. Rey-Castro, F. Mas.
J. Polym. Sci. Part B. Polym. Phys., doi: 10.1002/polb.24269.

 

The transfer matrix technique is a very powerful technique to solve Ising-type models of proton binding to polyelectrolytes, but its use is restricted to short range interactions. This work extends the technique to include long range interactions. The resulting titration curves that correspond to different binding models (homogeneous, heterogeneous, polyampholytes) are extremely accurate and indistinguishable in practice from those obtained by Monte Carlo simulations.

 

 

 

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