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Predicting the thermodynamics by using state-dependent interactions
1. Coarse-Graining of Condensed Phases and Biomolecular Systems, edited by G. A. Voth (CRC Press, Boca Raton, FL, 2009).
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47.As in our previous work, we determine g(r; ρ) by using the Domb-Joyce model at w = 0.505838 (see S. Caracciolo, B. M. Mognetti, and A. Pelissetto, J. Chem. Phys. 125, 094903 (2006) for a precise definition of the model), simulating lattice chains of length 2400. This should provide an accurate estimate of the pair distribution function in the asymptotic (infinite degree of polymerization), universal limit.
54.In the full-monomer model we have and for Φ = 0.80 and 1.50. For comparison, we report the pressure-dependent potentials for these two values of the pressure. Using the HNC approximation, we can also compute the thermodynamic variables using these state-dependent interactions. We obtain Φ = 0.784, Z = 2.397, βμexc = 2.72 for and Φ = 1.484, Z = 3.942, βμexc = 5.71 for .
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