关键词: 化学动力学, 计算机模拟, 计算化学, 照相化学

Abstract: A numerical model was designed to describe kinetics for a reactant to diffuse with a second-order reaction with another reactant in a gelatin layer. Using the combination of the model with corresponding experimental observation, the important kinetic parameters, the diffusion coefficient and the rate constant could be obtained. When all of kinetic parameters were available, the model could reproduce the kinetic curves obtained from experiments and give some information on intermediate processes, such as the space distributions of reactants and product with different times. This model might be considered as a quite powerful tool to analyse and study the processes of diffusion with chemical reactions in gelatin layer.

Key words: chemical kinetics, computer simulation, computational chemistry, photographic chemistry