Site Blocking Effect in Tracer Diffusion on a Lattice

Nakazato, Kazuo; Kitahara, Kakuo

doi:10.1143/ptp.64.2261

Cited by 145 publications

(88 citation statements)

References 2 publications

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“…This quantity is closely connected to earlier analytical works for the Langmuir gas model, [46][47][48][49][50][51] where in the high coverage limit →1,…”

Section: Directional Correlations In Single-particle Jumpssupporting

confidence: 79%

“…13,46,[48][49][50]52 Results at T ϭ590 K shown in Fig. 2͑b͒ reveal that indeed most of the coverage dependence of f T ( ,T) comes from the memory effects arising from the interparticle interactions.…”

Section: B Coverage Dependence Of F Tmentioning

confidence: 88%

“…20,[42][43][44][45] However, in the special case of the Langmuir gas model, 12 in which the only interaction between diffusing particles is the exclusion of double occupancy of lattice sites, the corresponding correlation factor f T L ( ) can be analytically estimated in various lattice geometries. [46][47][48][49][50][51][52] For the Langmuir gas, ⌫( )ϭ (1Ϫ ), where is the bare single-particle jump rate and (1Ϫ ) represents the blocking effect of occupied sites. The decomposition corresponding to Eq.…”

Section: B Coverage Dependence Of F Tmentioning

confidence: 99%

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Memory effects and coverage dependence of surface diffusion in a model adsorption system

et al. 1999

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We study the coverage dependence of surface diffusion coefficients for a strongly interacting adsorption system O/W͑110͒ via Monte Carlo simulations of a lattice-gas model. In particular, we consider the nature and emergence of memory effects as contained in the corresponding correlation factors in tracer and collective diffusion. We show that memory effects can be very pronounced deep inside the ordered phases and in regions close to first and second order phase transition boundaries. Particular attention is paid to the details of the time dependence of memory effects. The memory effect in tracer diffusion is found to decay following a power law after an initial transient period. This behavior persists until the hydrodynamic regime is reached, after which the memory effect decays exponentially. The time required to reach the hydrodynamical regime and the related exponential decay is strongly influenced by both the critical effects related to long-wavelength fluctuations and the local order in the overlayer. We also analyze the influence of the memory effects on the effective diffusion barriers extracted from the Arrhenius analysis. For tracer diffusion, we find that the contribution from memory effects can be as large as 50% to the total barrier. For collective diffusion, the role of memory effects is in general less pronounced. ͓S0163-1829͑99͒03011-8͔

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“…This quantity is closely connected to earlier analytical works for the Langmuir gas model, [46][47][48][49][50][51] where in the high coverage limit →1,…”

Section: Directional Correlations In Single-particle Jumpssupporting

confidence: 79%

Section: B Coverage Dependence Of F Tmentioning

confidence: 88%

Section: B Coverage Dependence Of F Tmentioning

confidence: 99%

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Memory effects and coverage dependence of surface diffusion in a model adsorption system

et al. 1999

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“…The tracer correlation factor f (c) in that case is known to a high degree of accuracy via dynamic pair approximations [23][24][25] , giving…”

Section: Hard-core Lattice Gasmentioning

confidence: 99%

Dynamic percolation theory for particle diffusion in a polymer network

Dürr

Volz

Dieterich

et al. 2002

The Journal of Chemical Physics

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Tracer-diffusion of small molecules through dense systems of chain polymers is studied within an athermal lattice model, where hard core interactions are taken into account by means of the site exclusion principle. An approximate mapping of this problem onto dynamic percolation theory is proposed. This method is shown to yield quantitative results for the tracer correlation factor of the molecules as a function of density and chain length provided the non-Poisson character of temporal renewals in the disorder configurations is properly taken into account.

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“…Phys. 64, 2261(1980], we consider the theoretical problem of tracer particle diffusion in an environment of diffusing hardcore interacting crowder particles. The tracer particle has a different diffusion constant from the crowder particles.…”

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confidence: 99%

Tracer particle diffusion in a system with hardcore interacting particles

et al. 2017

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Abstract. In this study, inspired by the work of K. Nakazato and K. Kitahara [Prog. Theor. Phys. 64, 2261(1980], we consider the theoretical problem of tracer particle diffusion in an environment of diffusing hardcore interacting crowder particles. The tracer particle has a different diffusion constant from the crowder particles. Based on a transformation of the generating function, we provide an exact formal expansion for the tracer particle probability density, valid for any lattice in the thermodynamic limit. By applying this formal solution to dynamics on regular Bravais lattices we provide a closed form approximation for the tracer particle diffusion constant which extends the Nakazato and Kitahara results to include also b.c.c. and f.c.c. lattices. Finally, we compare our analytical results to simulations in two and three dimensions.

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Site Blocking Effect in Tracer Diffusion on a Lattice

Cited by 145 publications

References 2 publications

Memory effects and coverage dependence of surface diffusion in a model adsorption system

Memory effects and coverage dependence of surface diffusion in a model adsorption system

Dynamic percolation theory for particle diffusion in a polymer network

Tracer particle diffusion in a system with hardcore interacting particles

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