Fabricio Sanchez-Varretti

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In this work we study a simple model of multilayer adsorption of noninteracting polyatomic species on homogeneous and heterogeneous surfaces. A new approximate analytic isotherm is obtained and validated by comparing with Monte Carlo simulation in one- and two-dimensional lattices. Then, we use the well-known Brunauer-Emmet-Teller (BET) approach to analyze(More)
A simple statistical mechanical approach for studying multilayer adsorption of interacting polyatomic adsorbates (k-mers) has been presented. The new theoretical framework has been developed on a generalization in the spirit of the lattice-gas model and the classical Bragg-Williams (BWA) and quasi-chemical (QCA) approximations. The derivation of the(More)
In this work we study the multilayer adsorption of polyatomic species on homogeneous and heterogeneous bivariate surfaces. A new approximate analytic isotherm is obtained and validated by comparing with Monte Carlo simulation. Then, we use the well-known Brunauer-Emmet-Teller’s (BET) approach to analyze these isotherms and to estimate the monolayer volume,(More)
In this work, the molecular interaction between the protein β-lactoglobulin and strong polyelectrolyte chains was studied using Monte Carlo simulations. Different coarse-grained models were used to represent the system components. Both net charge and protonation of the isolated dimeric protein were analyzed as a function of pH. The acid-base equilibrium of(More)
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