Resumo

ONOFRE-HERNANDEZ, A.; GONZALEZ-MELCHOR, M.  e  RIVAS-SILVA, J.F.. Coeficientes de difusión de fluidos de Yukawa y aplicación a fullerenos. Rev. mex. fis. [online]. 2010, vol.56, n.5, pp.416-422. ISSN 0035-001X.

Computer molecular dynamics simulations are performed to study dynamic properties of Yukawa fluids. The equations of motion are integrated by using the velocity Verlet algorithm. The diffusion coefficients are obtained through the mean square displacement and the velocity autocorrelation function. We applied this methodology to study the diffusion of C₆₀ and C₇₀ fullerenes, for which the attractive Yukawa potential has shown to be useful in reproducing the liquid-vapor coexistence curve.

Palavras-chave : Yukawa; molecular dynamics; diffusion coefficient; fullerenes.