EVALUATION OF ZERO-ORDER METHODS FOR SIMULATING PARTICLE COAGULATION

Computer simulation of coagulation is the subject of this paper. Zero order approximate methods offer distinct advantages in many cases, com bining satisfactory accuracy, simplicity, and efficiency of computatio n. Methods proposed by Batterham et al (in ''Proceedings, 3rd Internat ional Symposium on Agglomeration, Nurnberg, 1981,'' pp. A136-A150), Ma rchal et al (J. Chem. Eng. Sci. 43, 59 (1988)). Gelbard et al (J. Coll oid Interface Sci. 76, 541 (1980)), and Hounslow et al (AlChE J. 34, 1 821 (1988)) are systematically evaluated by comparison with analytical solutions. Two kernels (constant and sum) are employed with monodispe rse and gamma initial distributions for short and long times. The perf ormance characteristics of these methods (under various conditions) ar e outlined. Overall the method of Hounslow et al. exhibits the best pe rformance, with the additional advantage of conserving both particle n umber and mass. The merits of the methods by Batterham et al. and Gelb ard et al. are also presented. ''Numerical gelation'' phenomena obtain ed in some cases are identified. (C) Academic Press, Inc.