Entropy of polydisperse chains: solution on the Husimi lattice.
نویسندگان
چکیده
We consider the entropy of polydisperse chains placed on a lattice. In particular, we study a model for equilibrium polymerization, where the polydispersity is determined by two activities, for internal and endpoint monomers of a chain. We solve the problem exactly on a Husimi lattice built with squares and with arbitrary coordination number, obtaining an expression for the entropy as a function of the density of monomers and mean molecular weight of the chains. We compare this entropy with the one for the monodisperse case, and find that the excess of entropy due to polydispersity is identical to the one obtained for the one-dimensional case. Finally, we obtain a distribution of molecular weights with a rather complex behavior, but which becomes exponential for very large mean molecular weight of the chains, as required by scaling properties, which should apply in this limit.
منابع مشابه
A practical density functional for polydisperse polymers
– The Flory Huggins equation of state for monodisperse polymers can be turned into a density functional by adding a square gradient term, with a coefficient fixed by appeal to RPA (random phase approximation). We present instead a model nonlocal functional in which each polymer is replaced by a deterministic, penetrable particle of known shape. This reproduces the RPA and square gradient theori...
متن کاملEntropy crisis, ideal glass transition, and polymer melting: exact solution on a Husimi cactus.
We investigate an extension of the lattice model of melting of semiflexible polymers originally proposed by Flory. Along with a bending penalty epsilon, present in the original model and involving three sites of the lattice, we introduce an interaction energy epsilon (p), corresponding to the presence of a pair of parallel bonds and an interaction energy epsilon (h), associated with a hairpin t...
متن کاملThe Rate of Rényi Entropy for Irreducible Markov Chains
In this paper, we obtain the Rényi entropy rate for irreducible-aperiodic Markov chains with countable state space, using the theory of countable nonnegative matrices. We also obtain the bound for the rate of Rényi entropy of an irreducible Markov chain. Finally, we show that the bound for the Rényi entropy rate is the Shannon entropy rate.
متن کاملNatural Convection and Entropy Generation in Γ-Shaped Enclosure Using Lattice Boltzmann Method
This work presents a numerical analysis of entropy generation in Γ-Shaped enclosure that was submitted to the natural convection process using a simple thermal lattice Boltzmann method (TLBM) with the Boussinesq approximation. A 2D thermal lattice Boltzmann method with 9 velocities, D2Q9, is used to solve the thermal flow problem. The simulations are performed at a constant Prandtl number (Pr ...
متن کاملLattice Boltzmann simulation of EGM and solid particle trajectory due to conjugate natural convection
The purpose of this paper is to investigate the EGM method and the behavior of a solid particle suspended in a twodimensional rectangular cavity due to conjugate natural convection. A thermal lattice Boltzmann BGK model is implemented to simulate the two dimensional natural convection and the particle phase was modeled using the Lagrangian–Lagrangian approach where the solid particles are treat...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
عنوان ژورنال:
- The Journal of chemical physics
دوره 138 4 شماره
صفحات -
تاریخ انتشار 2013