An improvement in chemical kinetic computation with steep temperature distribution

✍ Scribed by Youwei Dai; Harald Raupenstrauch; Martin Posch; Gernot Staudinger

• Book ID: 103092732
• Publisher: Elsevier Science
• Year: 1994
• Tongue: English
• Weight: 423 KB
• Volume: 73
• Category: Article
• ISSN: 0016-2361
• DOI: 10.1016/0016-2361(94)90141-4

✦ Synopsis

In numerical computation of coal combustion and gasification severe problems can arise owing to large temperature gradients occurring in some regions. This is because the reaction rate is strongly dependent on temperature due to the Arrhenius law. Thus, a conventional step-wise distribution of temperature will lead to great errors in the computational results of the reaction rates. A numerical and analytical modification technique to compute the chemical reaction rates in the computation cell is proposed here. The reaction rates computed from the analytically derived modification formula coincides excellently with the results from precise numerical integration. A criterion is also suggested to judge where this modification is necessary, and effects of cell temperature, activation energy, reaction order and temperature gradient are treated. Principally, the method proposed here applies equally well to any chemical reaction systems.