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서지반출
Eigenfunctions for Liouville Operators, Classical Collision Operators, and Collision Bracket Integrals in Kinetic Theory Made Amenable to Computer Simulations
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  • Eigenfunctions for Liouville Operators, Classical Collision Operators, and Collision Bracket Integrals in Kinetic Theory Made Amenable to Computer Simulations
  • Eigenfunctions for Liouville Operators, Classical Collision Operators, and Collision Bracket Integrals in Kinetic Theory Made Amenable to Computer Simulations
저자명
Eu. Byung-Chan
간행물명
Bulletin of the Korean Chemical Society
권/호정보
2012년|33권 3호|pp.779-789 (11 pages)
발행정보
대한화학회
파일정보
정기간행물|ENG|
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이 논문은 한국과학기술정보연구원과 논문 연계를 통해 무료로 제공되는 원문입니다.
서지반출

기타언어초록

In the kinetic theory of dense fluids the many-particle collision bracket integral is given in terms of a classical collision operator defined in the phase space. To find an algorithm to compute the collision bracket integrals, we revisit the eigenvalue problem of the Liouville operator and re-examine the method previously reported [Chem. Phys. 1977, 20, 93]. Then we apply the notion and concept of the eigenfunctions of the Liouville operator and knowledge acquired in the study of the eigenfunctions to cast collision bracket integrals into more convenient and suitable forms for numerical simulations. One of the alternative forms is given in the form of time correlation function. This form, on a further manipulation, assumes a form reminiscent of the Chapman- Enskog collision bracket integrals, but for dense gases and liquids as well as solids. In the dilute gas limit it would give rise precisely to the Chapman-Enskog collision bracket integrals for two-particle collision. The alternative forms obtained are more readily amenable to numerical simulation methods than the collision bracket integrals expressed in terms of a classical collision operator, which requires solution of classical Lippmann-Schwinger integral equations. This way, the aforementioned kinetic theory of dense fluids is made fully accessible by numerical computation/simulation methods, and the transport coefficients thereof are made computationally as accessible as those in the linear response theory.