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A model for the catalytic oxidation of CO that includes CO desorption and diffusion, O repulsion, and impurities in the gas phase
Buendía, G.M.; Rikvold, P.A. - In: Physica A: Statistical Mechanics and its Applications 424 (2015) C, pp. 217-224
includes the simultaneous presence of contaminants in the gas phase, CO desorption, CO diffusion, and strong repulsion between … rate is greatly reduced, but this effect is mitigated by CO desorption and diffusion. CO desorption has the effect of …
Persistent link: https://www.econbiz.de/10011194105
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Sorption heat engines: Simple inanimate negative entropy generators
Muller, Anthonie W.J.; Schulze-Makuch, Dirk - In: Physica A: Statistical Mechanics and its Applications 362 (2006) 2, pp. 369-381
cycling and work on alternating adsorption and desorption. These generators are not in general explicitly recognized as heat …
Persistent link: https://www.econbiz.de/10010874681
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Adsorption–desorption processes of extended objects on a square lattice
Budinski-Petković, Lj.; Kozmidis-Luburić, U. - In: Physica A: Statistical Mechanics and its Applications 301 (2001) 1, pp. 174-180
Kinetics of adsorption–desorption process is studied by Monte Carlo simulation on a square lattice. The depositing … desorption with probability Pdes=1−Pa. The equilibrium coverage and the relaxation time are obtained for various ratios of the … adsorption probability to the desorption probability. The dependence of the relaxation time σ on (Pa/Pdes) is described by a …
Persistent link: https://www.econbiz.de/10011062457
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Adsorption, desorption and diffusion of extended objects on a square lattice
Budinski-Petković, Lj; Tošić, T - In: Physica A: Statistical Mechanics and its Applications 329 (2003) 3, pp. 350-356
Kinetics of the adsorption–desorption process with diffusional relaxation is studied by Monte-Carlo simulations on a …, desorption and diffusion. The time is measured by the number of adsorption attempts per lattice site and the kinetics of the … process is governed by the ratios of desorption to adsorption rate and diffusion to adsorption rate. The process is reversible …
Persistent link: https://www.econbiz.de/10011063727
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Adsorption–desorption kinetics of the monomer–dimer mixture
Boscoboinik, J.A.; Manzi, S.J.; Pereyra, V.D. - In: Physica A: Statistical Mechanics and its Applications 389 (2010) 7, pp. 1317-1328
, when processes like adsorption, desorption and diffusion are included. The hierarchy of equation is truncated by using mean … neighbor lateral interaction are presented. The irreversible kinetics are also considered. Temperature-programmed-desorption …
Persistent link: https://www.econbiz.de/10010591424
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An introduction to Monte Carlo methods
Walter, J.-C.; Barkema, G.T. - In: Physica A: Statistical Mechanics and its Applications 418 (2015) C, pp. 78-87
Monte Carlo simulations are methods for simulating statistical systems. The aim is to generate a representative ensemble of configurations to access thermodynamical quantities without the need to solve the system analytically or to perform an exact enumeration. The main principles of Monte Carlo...
Persistent link: https://www.econbiz.de/10011077842
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Monte Carlo methods beyond detailed balance
Schram, Raoul D.; Barkema, Gerard T. - In: Physica A: Statistical Mechanics and its Applications 418 (2015) C, pp. 88-93
Monte Carlo algorithms are nearly always based on the concept of detailed balance and ergodicity. In this paper we focus on algorithms that do not satisfy detailed balance. We introduce a general method for designing non-detailed balance algorithms, starting from a conventional algorithm...
Persistent link: https://www.econbiz.de/10011077845
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Thermostatistics of extensive and non-extensive systems using generalized entropies
Salazar, R.; Toral, R. - In: Physica A: Statistical Mechanics and its Applications 290 (2001) 1, pp. 159-191
We describe in detail two numerical simulation methods valid to study systems whose thermostatistics is described by generalized entropies, such as Tsallis. The methods are useful for applications to non-trivial interacting systems with a large number of degrees of freedom, and both short- and...
Persistent link: https://www.econbiz.de/10010872283
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Monte Carlo simulations including energy from an entropic force
Chamberlin, Ralph V. - In: Physica A: Statistical Mechanics and its Applications 391 (2012) 22, pp. 5384-5391
Several experimental techniques have shown that the primary response of many materials comes from a heterogeneous distribution of independently relaxing nanoscale regions; but most Monte Carlo simulations have homogeneous correlations. Resolving this discrepancy may require including the energy...
Persistent link: https://www.econbiz.de/10010872336
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Dynamics of surface steps
Szalma, F; Selke, W; Fischer, S - In: Physica A: Statistical Mechanics and its Applications 294 (2001) 3, pp. 313-322
In the framework of SOS models, the dynamics of isolated and pairs of surface steps of monoatomic height is studied, for step–edge diffusion and for evaporation kinetics, using Monte Carlo techniques. In particular, various interesting crossover phenomena are identified. Simulational results...
Persistent link: https://www.econbiz.de/10010873172