T. Berndt et al., An approximate method for numerically solving PDEs in chemical kinetics using Laplace transformation, Z PHYS CHEM, 209, 1999, pp. 259-270
Citations number
20
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-INTERNATIONAL JOURNAL OF RESEARCH IN PHYSICAL CHEMISTRY & CHEMICAL PHYSICS
An algorithm to calculate analytical functions for concentration distributi
ons in flow-tube experiments dealing with chemical kinetics studies is pres
ented. The considered processes, i.e. convection, diffusion, wall loss proc
esses and chemical reactions are described by means of the continuity equat
ions for the chemical species which take the form of partial differential e
quations (PDEs).
The given approach, which is based on the Laplace transformation, allows an
unrestricted analysis of systems with first-order kinetics for the chemica
l reaction term for appropriate boundary conditions. For systems with secon
d-order kinetics, a limited application is possible.
A comparison with an accessible finite difference reference method shows th
at the found solutions each are in a reasonable agreement.