CEES - EXPERT-SYSTEM FOR COMPLEX EQUILIBRIA .1. MODGEN - MODEL GENERATOR FOR METAL-LIGAND EQUILIBRIA IN SOLUTION-PHASE

An expert system dealing with the generation of species and chemical m odels for the interaction of a metal ion with weak ligands is develope d. The system is implemented on IBM PC/XT employing artificial intelli gence language Turbo-prolog (2.0). Starting from information derived f rom the Bjerrum formation function and from basic chemical charaterist ics of the ingredients, production rules for models are generated. The ir congruency with features or trends of the experimental data and pre vious literature facts is evaluated on the basis of first order predid ate logic. It is thus possible to generate sets of probable metal-liga nd complexes. The choice by means of statistical tests, among the sets generated is performed by searching for the set best fitting the expe rimental data. The software, which is modular and easy to use runs und er DOS environment without a Prolog library.