An approximate method for numerically solving PDEs in chemical kinetics using Laplace transformation

Citation
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
ISSN journal
09429352 → ACNP
Volume
209
Year of publication
1999
Part
2
Pages
259 - 270
Database
ISI
SICI code
0942-9352(1999)209:<259:AAMFNS>2.0.ZU;2-C
Abstract
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.