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À propos de : A Theoretical Study of the Phase Diagrams of SimpleFluids Confined within Narrow Pores        

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  • A Theoretical Study of the Phase Diagrams of SimpleFluids Confined within Narrow Pores
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  • In this work the two phase coexistence region for simple fluids confined within slit and cylindrical poresis investigated. The format of this study involves a comparison of the results obtained with the aid of latticemodels and molecular dynamics simulations in the near-critical region, and it is shown that the shape ofthe phase diagram which may be observed depends not only on pore geometry but also on the relativestrengths of the fluid−wall and fluid−fluid interaction potentials. In comparison of the results predictedby lattice−gas theory and molecular dynamics simulation, it is found that the lattice model correctlyaccounts for all of the general features of the phase diagram arising from fluid−wall interaction potential,pore size, and pore shape. In the critical region however there are quantitative disagreements betweenlattice theory and molecular simulation due primarily to the mean-field nature of the quasichemicalapproximation employed in the lattice−gas calculations. Modifications of the lattice model computationswhich improve the agreement with simulation are presented and discussed.
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