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Volumn 118, Issue 18, 2003, Pages 8428-8436

Exact computation of the mean velocity, molecular diffusivity, and dispersivity of a particle moving on a periodic lattice

Author keywords

[No Author keywords available]

Indexed keywords

BROWNIAN MOVEMENT; CALCULATIONS; COMPUTER SIMULATION; DIFFUSION; DISPERSION (WAVES); DNA; ELECTRIC FIELDS; ELECTRON TRANSITIONS; ELECTRON TRAPS; MONTE CARLO METHODS;

EID: 0037799636     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1565322     Document Type: Article
Times cited : (5)

References (30)
  • 16
    • 0037574615 scopus 로고    scopus 로고
    • note
    • In free solution, these dyadics are isotropic and the solute mobility reduces to its Stokes mobility.
  • 18
    • 0038588742 scopus 로고    scopus 로고
    • note
    • The zero-field limit dispersion coefficient is often referred to as the diffusion coefficient for the system, which should not be confused with the molecular diffusivity of the solute. For clarity, we will only use the term diffusion in the context of local motion and the term dispersion (or effective diffusion) in the context of averaged global motion.
  • 19
    • 0038588743 scopus 로고    scopus 로고
    • note
    • By an unbiased walk, we mean that all jumps are equally likely at a given lattice site, but where some of the jumps may be rejected by the presence of the obstacles. In contrast, for a biased random walk, the likelihood of making a jump in a particular direction is biased by the presence of the imposed force, resulting in a preferred direction of motion. Jumps onto sites occupied by the obstacles are still rejected in the biased random walk.
  • 23
    • 0037574617 scopus 로고    scopus 로고
    • note
    • For those edges contained entirely in unit cell I, I = I′.
  • 24
    • 0038250208 scopus 로고    scopus 로고
    • note
    • - (i). Since the underlying logic of the lattice random walk is that the particle must make a jump at each time step (albeit with the possibility that this jump will be rejected), the resulting calculation scheme is greatly simplified by requiring a unitary probability [cf. Eq. (2.2)] of jumping and accounting for rejected jumps by the factor w(i).
  • 25
    • 0037574613 scopus 로고    scopus 로고
    • note
    • It is expected that moving from a finite-difference approximation to a continuous derivative reflects the physical process being modeled, since the lattice model merely represents a discrete approximation to a continuous process.
  • 27
    • 0037574620 scopus 로고    scopus 로고
    • note
    • ∞. [As an illustrative example, consider the effect of curved field lines (Ref. 9).] The latter bias appears here only in the B field, since the force is identically zero.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.