کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
503552 863779 2010 8 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Maple code for the calculation of the matrix elements of the Boltzmann collision operators for mixtures
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
Maple code for the calculation of the matrix elements of the Boltzmann collision operators for mixtures
چکیده انگلیسی

A Maple code is provided which is used to compute the matrix elements of the collision operators in the Boltzmann equation for arbitrary differential elastic collision cross section. The present paper describes an efficient method for the calculation of the matrix elements of the collision operators in the Sonine basis set. The method employs the generating functions for these polynomials. The transport properties of gaseous mixtures of atoms and/or ions are generally determined from solutions of the Boltzmann equation. The solution of the Boltzmann equation for the velocity distribution functions requires a representation of the integral collision operators defined by the differential cross sections describing collisions between pairs of particles. Many applications have considered either the simple hard sphere cross section or the cross section corresponding to the inverse fourth power of the inter-particle distance (“Maxwell molecules”). There are a few applications where realistic quantum mechanical cross sections have been used. The basis set of Sonine (or Laguerre) polynomials is the basis set of choice used to represent the distribution functions. The Maple code provided is used to express the matrix elements of the collision operators in terms of a finite sum of the omega integrals of transport theory and defined by the differential cross section. Thus the matrix representations of the collision operators are applicable to arbitrary interaction potentials.Program summaryProgram title: MCBCCatalogue identifier: AEGJ_v1_0Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEGJ_v1_0.htmlProgram obtainable from: CPC Program Library, Queen's University, Belfast, N. IrelandLicensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.htmlNo. of lines in distributed program, including test data, etc.: 2422No. of bytes in distributed program, including test data, etc.: 48 653Distribution format: tar.gzProgramming language: MapleComputer: Personal computer or workstationOperating system: Windows or LinuxRAM: bytesClassification: 12Nature of problem: The representation of the collision operators in the Boltzmann equation in the basis set of Sonine (Laguerre) polynomials.Solution method: The matrix element of the generating function for the Sonine polynomials are evaluated analytically. The individual matrix elements are the coefficients in the double power series expansion in two parameters. The Maple code is used to effect this expansion and extract the coefficients of the omega integrals. The omega integrals are defined by the differential cross section.Running time: A few seconds for the examples provided.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Computer Physics Communications - Volume 181, Issue 9, September 2010, Pages 1633–1640
نویسندگان
, ,