نتایج جستجو برای: equilibrium calculations
تعداد نتایج: 236783 فیلتر نتایج به سال:
A great many observables seen in intermediate energy heavy ion collisions can be explained on the basis of statistical equilibrium. Calculations based on statistical equilibrium can be implemented in microcanonical ensemble (energy and number of particles in the system are kept fixed), canonical ensemble (temperature and number of particles are kept fixed) or grand canonical ensemble (fixed tem...
We have previously shown an analysis of our dimer model in the over-damped regime to show directed transport in equilibrium. Here we analyze the full model with inertial terms present to establish the same result. First we derive the Fokker-Planck equation for the system following a Galilean transformation to show that a uniformly translating equilibrium distribution is possible. Then, we find ...
A theoretical study of the kinetic and mechanism of 3-aug-Cope rearrangement in gas phase was performed usingDET methods at B3LYP levels of theory with 6-3114iG(d,p) bass set at 298.I5K. Equilibrium moleculargeometries and harmonic vibrational frequencies of the reactant, transition state Did product were calculated. Then,rate constant and activation thermodynamics parameters were calculated an...
When storing gas in a salt cavern, it occupies most of the excavated volume, but lower part cavern inevitably contains residual brine, contact with gas. The design hydrogen and compressed air storage caverns requires to have thermodynamic model able accurately predict both phase properties such as densities, equilibrium (gas solubility water content vapour phase). This work proposes parameteriz...
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