Data Base of Geochemical Kinetics as a Complex System

Hu Shumin, Open Research Laboratory of Geochemical Kinetics,Institute of Mineral Resources, Chinese Academy of Sciences, China

Authors: Shumin Hu, Ronghua Zhang, Junsheng Zhang, Xuetong Zhang, and Rongfang Bie

Today, lack of resources and worsening of entironments (disaster or pollution) of the earth ask scientists to put the axe in helve and predict natural processes. Therefore, simulation of air/water/rock interactions in lithosphere and on the surface is obviously more and more important. Thus, they need to organize kinetics experiment data on reactions of mineral/rock with water (including air-bearing solutions) which are called Geochemical Kinetics Dada (GCKD).

This study proposes an efficient solution to organize and manage Geochemical Kinetic data. Natural processes include several aspects: 1. reaction rates of minerals in aqueous solutions (and with airs); 2. mineral and surface modification, etc; 3. water or aqueous solution, or air bearing solutions; 4.fluid flowing systems; 5. diffusion/dispersion; 6. adsorption and desorption, interface kinetics, coupling of diffusion and surface reactions; 7. temperature and pressure conditions; 8. distance to equilibrium; 9. open/closed system; 10. non-linear dynamics, time evolution; and 11.reaction mechanism. Actually, natural processes occurred and occurring in the earth are both as complex system. We have built the Geochemical kinetic database system (GCK-database) is correspondingly to describe the real Geochemical kinetics experiment system.

GCK database system is a “star” structure, and consists of some subsystems. Experiment subsystem is the central subsystem, which consists solid/aqueous solution/air, and decides the structure of GCK database. Logic Structure of Database: Geochemical kinetic experiment data consist of subsystems: minerals, reaction fluids, physical and chemical conditions, reaction systems, experiment results and referred information etc.

Rules to predict Geochemical kinetics system can be classified as follow: one kind is described by definitely theory based on experiment results, such as rate equation, rate law, etc.; the other is described by probability and statistic theory based on experimental system characters, such as, time evolution, non-linear dynamic processes. With these rules and concerning a complex system, we can predict the unknown experiment data according to the data in existence. The experimental systems are similar to natural systems, and both are complex system. Therefore, GCK database is organized using system theory.

According to the system theory, a complex system consists of many subsystems, which are parallel connection, or/and series-wound. And the system often has a middle product and feedback reaction. Sometimes, a complex system possesses one or more solutions, some of which would be unsteady, non-linear, indefinite and unpredictable. Authors suggest a case study of Solid-liquid reaction in packed bed reactor of open-flowing system based on a performed experiment of CaF2-HCl-H2O. Authors found reaction products and theoretical solutions with time elapse both include temporal chaos, isolated wave, transition state, multi steady state, etc. Aim of this study is to predict natural processes and to lighten worsening of entironments.


Keywords : Complex System; database of Geochemical Kinetics; structure of database; prediction; system theory.