Results 301 to 310 of about 3,070,839 (358)

Three-state model and chemical reactions

Journal of Physics A: Mathematical and General, 1996
A three-state model is formulated in terms of raising and lowering operators. As an application, cyclic chemical reactions with three different species in the solid state are studied. The evolution equations for the densities and for the correlation functions can be derived starting from a master equation in a generalized Fock space representation on a
M Schulz, S Trimper
openaire   +2 more sources

Chemical equilibrium and reaction models

, 1995
Chemical equilibrium and reaction models , Chemical equilibrium and reaction models , مرکز فناوری اطلاعات و اطلاع رسانی ...
R. H. Loeppert, A. Schwab, S. Goldberg, D. Parker   +3 more
semanticscholar   +1 more source

Electrochemical CO2 Reduction into Chemical Feedstocks: From Mechanistic Electrocatalysis Models to System Design

Advances in Materials, 2019
The electrochemical reduction of CO2 is a promising route to convert intermittent renewable energy to storable fuels and valuable chemical feedstocks.
M. G. Kibria, Jonathan P. Edwards, Christine M. Gabardo, C. Dinh, A. Seifitokaldani, D. Sinton, E. Sargent   +6 more
semanticscholar   +1 more source

A Dynamical Model for Chemical Reaction

1979
If the reaction cross section, Q(∈, i, j), is known, the rate constant for the corresponding chemical reaction can be calculated from (8.6) and (8.11). To interpret the details of molecular beam experiments even more information is needed. The hard-sphere model was obviously far too naive to give reliable estimates of the reaction cross section ...
openaire   +2 more sources

Stochastic Models for Second‐Order Chemical Reaction Kinetics. The Equilibrium State

, 1966
Stochastic models for a number of reversible chemical reactions involving one or two second‐order steps are examined and exact solutions which involve standard orthogonal polynomials are found for the equilibrium states. The expected values and variances
I. Darvey, B. Ninham, P. Staff
semanticscholar   +1 more source

Mathematical Modeling of Chemical Reactions

1970
Publisher Summary A chemical reaction is no exception, because it does possess some true mechanism that is descriptive of every microscopic detail of the reaction. In practice, of course, a complete description of this mechanism cannot be obtained and approximations must be made.
openaire   +2 more sources

Mathematical models for mass transfer accompanied by reversible chemical reaction

, 1965
Based on the film-penetration theory, the film theory, and the surface renewal theory, theoretical equations are obtained for the rate of interphase mass transfer accompanied by a first-order reversible reaction.
Chen-Jung Huang, C. Kuo
semanticscholar   +1 more source

Coarse-Grained Chemical Reaction Model

The Journal of Physical Chemistry B, 2004
We have developed a methodology for including effects of chemical reactions in coarse-grained computer simulations such as those that use the united atom approximation. The new coarse-grained chemical reaction model (CGCRM) adopts the philosophy of kinetic Monte Carlo approaches and includes a probabilistic element to predicting when reactions occur ...
Barbara J. Garrison, Yaroslava G. Yingling and   +1 more
openaire   +2 more sources

Modeling Chemical Reaction Kinetics

1991
In previous chapters of this text, we have considered various forms of energy, however, we treated them mostly in isolation. Transitions between different forms of energy were accomplished by so—called energy transducers, but, until now, no more than two forms of energy were involved in any such transition.
openaire   +2 more sources

THE BIFURCATION DIAGRAM OF MODEL CHEMICAL REACTIONS

Annals of the New York Academy of Sciences, 1979
Some general principles underlying pattern formation and the onset of temporal oscillations in reaction/diffusion systems can be derived from the detailed bifurcation analysis of nonlinear differential equations of the form: $$\begin{array}{l} \frac{\partial }{{{\partial _t}}}{X_i} = {F_i}({X_i},{X_i},...{X_n};\lambda ) + {D_i}\Delta {X_i} \\ 1 \le
Thomas Erneux, M. Herschkowitz‐Kaufman and   +1 more
openaire   +2 more sources