球钯材料填充柱中氢-氘交换的计算机模拟

摘要

本文结合球体颗粒交换模型(SPEM)与气-固表面交换模型设计了氢-氘交换反应模型,采用FORTRAN语言进行计算机编程模拟,研究了钯材料粒径、分离柱长度、填料密度、气体流速和温度等因素对氢氘交换反应的影响.结果表明:通过降低气体流速,增大金属材料目数、填料密度、交换柱长,以及升高温度,可以提高交换速率；而在满足一维速率方程的条件下,柱径的大小不影响交换反应过程.%A hydrogen-deuterium exchange reaction model was constructed by combining the Sphere Particle Exchange Model (SPEM) and the Gas-Solid Surface Exchange Model,and programmed in terms of numerical algorithm using FORTRAN language to simulate the H-D exchange reaction in a column filled with palladium (Pd) particles.This model was then used to study the influence of the properties of Pd material,including its size and density in the column,the length of the column,the velocity of the gas flow and temperature,etc.,on the exchange reaction.The calculation show that low flow velocity,high density and small size of Pd particles,longer column and higher temperature may accelerate the exchange reaction of D by H,while the diameter of column has no effect when the diffusion model used here holds.