One-Diohliensilonall A + B = 0 Reactmion with One Immobile Species

1992 ◽  
Vol 290 ◽  
Author(s):  
Panos Argyrakisa ◽  
Raoul Kopelman
Keyword(s):  
Monte Carlo ◽  
Particle Distribution ◽  
Rate Coefficient ◽  
Reaction Order ◽  
Distribution Functions ◽  
Relative Mobility ◽  
Subtle Difference ◽  
Density Profiles ◽  
Dimensional Lattice ◽  
One Dimensional

AbstractThe elementary batch reaction A + B = 0 is re-examined via Monte-Carlo simulations on a one-dimensional lattice. The relative mobility of the A and B species is varied in this model, but the initial densities of the A and B are always the same. We calculate the rates, the density profiles, and the particle distribution functions. The rate power law is conserved, i.e., the well-known 1/4 behavior is established for all mobilities. The rate coefficient is the only mobility-dependent quantity. The interparticle distribution functions show that the aggregation depends on the relative mobility but the segregation does not. This subtle difference has no effect on the asymptotic reaction order, which is close to 5.

Grand ensemble Monte Carlo calculation of the thermodynamic properties of a solid/vapour interface

1976 ◽  
Vol 29 (10) ◽  
pp. 2103 ◽  
Author(s):  
JE Lane ◽  
TH Spurling
Keyword(s):  
Monte Carlo ◽  
Thermodynamic Properties ◽  
Particle Distribution ◽  
Canonical Ensemble ◽  
Monte Carlo Calculation ◽  
Distribution Functions ◽  
Surface Phase ◽  
Ensemble Monte Carlo ◽  
Surface Phase Transitions ◽  
Grand Canonical

The thermodynamic properties of the krypton/graphite interface have been evaluated by the grand canonical ensemble Monte Carlo method. Submonolayer adsorption isotherms have been calculated at temperatures of 77.31, 84.11 and 90.12 K, together with particle distribution functions, surface pressures and isosteric heats of adsorption. The results are compared with experiment and discussed in relation to the existence of surface phase transitions. The Monte Carlo adsorptions were used to check the error in assuming Henry's law adsorption at low pressure.

Monte-Carlo Study of Energy Losses in Hot Stage of Electronic Excitation Relaxation in Scintillators

1994 ◽  
Vol 348 ◽  
Author(s):  
Roman A. Glukhov ◽  
Andrey N. Vasil'ev
Keyword(s):  
Monte Carlo ◽  
Electronic Excitation ◽  
Particle Distribution ◽  
Monte Carlo Study ◽  
Energy Relaxation ◽  
Luminescence Decay ◽  
Distribution Functions ◽  
Photon Absorption ◽  
Energy Losses ◽  
Main Attention

ABSTRACTThe results of computer simulation of the fast stages of energy relaxation in insulators after the VUV or XUV photon absorption are presented. The simulation involves two stages:the inelastic scattering of excitations with production of secondary excitations and thermalization through phonon emission. The main attention is focused on the spatial distribution functions of excitations, i.e. one-particle and two-particle distribution functions.The latter Function determines the energy transfer at final stages of energy relaxation and is important for different quenching processes and the acceleration of the luminescence decay. The Monte-Carlo simulation was carried out for BaF2 crystal for photon energies from 20 eV to 100 eV. The simulation shows that the two-particle distribution functions and thus the kinetics depend on the energy of excitation.

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