Self-diffusion coefficient of the square-well fluid from molecular dynamics within the constant force approach
A Torres-Carbajal, VM Trejos… - arXiv preprint arXiv …, 2018 - arxiv.org
We present a systematic study of the self-diffusion coefficient for a fluid of particles
interacting via the square-well pair potential by means of molecular dynamics simulations in
the canonical (N, V, T) ensemble. The discrete nature of the interaction potential is modeled
through the constant force approximation and the self-diffusion coefficients is determined for
several packing fractions at super critical thermodynamic states. The dependence of the self-
diffusion coefficient with the potential range $\lambda $ is analyzed in the range of …
interacting via the square-well pair potential by means of molecular dynamics simulations in
the canonical (N, V, T) ensemble. The discrete nature of the interaction potential is modeled
through the constant force approximation and the self-diffusion coefficients is determined for
several packing fractions at super critical thermodynamic states. The dependence of the self-
diffusion coefficient with the potential range $\lambda $ is analyzed in the range of …
Self-diffusion coefficient of the square-well fluid from molecular dynamics simulations within the constant force approach
A Torres-Carbajal, VM Trejos… - The Journal of Chemical …, 2018 - pubs.aip.org
We present a systematic study of the self-diffusion coefficient for a fluid of particles
interacting via the square-well pair potential by means of molecular dynamics simulations in
the canonical (N, V, T) ensemble. The discrete nature of the interaction potential is modeled
by the constant force approximation, and the self-diffusion coefficient is determined for
several fluid densities at supercritical thermodynamic states. The dependence of the self-
diffusion coefficient on the potential range λ is analyzed in the range of 1.1≤ λ≤ 1.5. The …
interacting via the square-well pair potential by means of molecular dynamics simulations in
the canonical (N, V, T) ensemble. The discrete nature of the interaction potential is modeled
by the constant force approximation, and the self-diffusion coefficient is determined for
several fluid densities at supercritical thermodynamic states. The dependence of the self-
diffusion coefficient on the potential range λ is analyzed in the range of 1.1≤ λ≤ 1.5. The …
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