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COMPUTATIONAL ASPECTS OF MULTIPLE INTEGRAL EVALUATION IN THE KINETIC THEORY OF A MODERATELY DENSE LENNARD-JONES GAS

机译:中密度LENNaRD-JONEs气体动力学理论中多重积分评价的计算方法

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Viscosity and thermal conductivity second virial coefficients for a moderately dense gas with spherically symmetrical molecules obeying the Lennard-Jones potential are calculated numerically. Only the numerical methods used to evaluate the improper multiple integrals resulting from the theoretical formulation and solution of the problem are discussed. Three improper integrals, each of which having an integrand containing another improper integral, are explicitly presented and solved using the Gauss-Legendre and Gauss-Laguerre quadrature formulas. A systematic method of checking the error committed in the numerical approximation is described and em¬ployed to confirm two (and nearly three) digit accuracy in the final results. Results of the computations are presented in both tabular and graphical form, and compare favorably with experimental, semi-em¬pirical, and other theoretical results.

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