SIMULATION APPARATUS OF POLYMERIZATION REACTION, SIMULATION PROGRAM OF POLYMERIZATION REACTION, RECORDING MEDIUM AND SIMULATION METHOD

摘要

PPROBLEM TO BE SOLVED: To provide a simulation apparatus capable of calculating a velocity constant suitable for decomposition reaction of a monomer, a polymerization reaction including a growth termination reaction or a polymerization reaction, etc., which is not expressed by a monomer concentration or a product of the monomer concentration and capable of predicting experimental result of average molecular weight and molecular weight distribution of a polymer in an arbitrary reaction time. PSOLUTION: In this simulation apparatus, an experimental result of molar concentration of each component (a monomer, a polymer and a polymerization inhibitor) at a time of t1 is obtained in S1 and an experimental result of molar concentration of each component at the time of t2 (t1) is obtained in S2 and a velocity constant of each reaction of polymerization reaction is calculated in S3 and conditions (e.g. an arbitrary reaction time tx) for actual simulation are obtained in S4 and simulation A treatment is carried out in S5 and as a result, the concentrations of the monomer, the polymer and the polymerization inhibitor and the molecular weight distribution and average molecular weight of the polymer at a reaction time of tx are displayed in S6 to finish these treatments. PCOPYRIGHT: (C)2003,JPO