Geodesic
Numerical methods for problems of chemical kinetics with diffusion
Matematičeskoe modelirovanie, Tome 4 (1992) no. 1, pp. 98-110.

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It is proposed to use the method of lines (MOL) for numerical solving of a problem of chemical kinetics with diffusion and heat conduction. It leads to a stiff system of a very large number of ordinary differential equations (ODEs). The system may be turned to suchform, that its Jacobian matrix has band structure (the width of this band is twice as much as the quantity of the chemical components). Different codes (LSODE, ROS4, RODAS, SEULEX and COCOSE) were compared in order to check which of them is more convenient for solution of such kind of problems. This approach was studied on the problem of radical copolymerization. The accuracy of results was investigated carefully by the nested grids method. The calculations show that ail these codes are stable and reliable and at a modest amount of calculations give good accuracy, that is quite sufficient for purposes of chemical practice. 
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     author = {D. S. Guzhev and P. Seifert and N. N. Kalitkin and P. D. Shirkov},
     title = {Numerical methods for problems of chemical kinetics with diffusion},
     journal = {Matemati\v{c}eskoe modelirovanie},
     pages = {98--110},
     publisher = {mathdoc},
     volume = {4},
     number = {1},
     year = {1992},
     language = {ru},
     url = {http://geodesic.mathdoc.fr/item/MM_1992_4_1_a4/}
}
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D. S. Guzhev; P. Seifert; N. N. Kalitkin; P. D. Shirkov. Numerical methods for problems of chemical kinetics with diffusion. Matematičeskoe modelirovanie, Tome 4 (1992) no. 1, pp. 98-110. http://geodesic.mathdoc.fr/item/MM_1992_4_1_a4/