计算流体地球化学研究的进展

成矿作用的化学机理可以通过实验和计算机模拟进行研究。随着计算机运算能力的不断增强 ,在地球化学中正在形成一门新兴学科———计算地球化学。其中热质输运模拟、化学质量迁移数值模拟和流体输运化学反应耦合动力学研究取得了显著进展。建立在Darcy定律和守恒方程基础上的多孔介质热质输运模拟通过流函数图、等温线图及速率矢量图等 ,从古水文学和流体地球化学方面高度动态研究成矿作用。根据化学和热力学原理进行的化学质量迁移数值模拟则通过矿物和流体中化学物种的热力学数据 ,预测多组分体系中发生的流体岩石相互作用 ,定量揭示经历了复杂化学反应进程的成矿作用的化学行为。将上述两方面结合的流体输运化学反应耦合动力学 ,可以从时间和空间上模拟真实成矿流体系统复杂的动力学行为 ,是计算流体地球化学的发展方向。

ADVANCES IN COMPUTER-FLUID GEOCHEMISTRY

The revealing of chemical mechanisms for ore forming fluid can be conducted by experiment and computer simulation. Computer simulation is of a distinctive superiority as compared with experiment. Along with the constantly strengthening of the operation capability of computer, computer geochemisting has become one of the very important methods and one of the new branches in geochemical study. In this paper, the research results and main advances in heat mass transport of porous medium, chemical mass transfer modelling of ore forming fluid, and coupled dynamics between chemical mass transfer and heat mass transport simulation present a good prospect of the computer fluid geochemistry. The heat mass transport numerical modeling of porous medium based on Darcy law and a group of partial differential conservation equations, has an insight into the ore forming processes by means of flow function diagram, isotherm and velocity vector diagram, fossil hydrology and fluid geochemistry. The aim of chemical mass transfer modelling of ore forming fluid on the basis of the thermodynamics data of chemistry and thermodynamics of chemical species is to combine the constraints imposed by equilibrium thermodynamics with the constraints of mass balance to predict the fluid rock interaction of multicomponent system and to reveal quantitatively the chemical behaviours of an ore forming system undergoing complex chemical reaction progress. The coupled dynamics between chemical mass transfer and heat mass transport simulation simulates the complex dynamics behaviours of an real ore forming fluid system in space and time, and it has pointed out the way forward for computer fluid geochemistry.