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     Development of Reduction Reaction Mechanisms for the Hydrogen and Methanol
     Presenter: Greice da Silva Lorenzzetti
     Co-Authors: Francieli Aparecida Vaz & Alvaro Luiz de Bortoli
Abstract

Biofuels, such as biohydrogen, biomethanol, bioethanol and biodiesel may be the future of energy for transportation. The methanol can be used directly for powering Otto engines or fuel cells; it is commonly used in biodiesel production for its reactivity. Biohydrogen is a replacement for fossil and biorenewable liquid fuels. Based on a mechanism composed by 20 reversible elementary reactions among 8 reactive species, we propose a reduction process to obtain the mechanism of hydrogen, and from 136 reversible elementary reactions among 30 reactive species, we obtain a reduced mechanism for methanol, considering velocity and concentration of each elementary reaction. The aim of this work is the development of a numerical algorithm which eliminates the fastest reactions that destroy the steady-state species since the slowest reactions are rate-determining. The reduction strategy may be summarized in 7 steps: 1. Estimate the order of magnitude of the reaction partners; 2. Apply steady-state assumptions to those species whose concentration remains small; 3. Define the main chain; 4. Identify global reactions and their principal rates; 5. Introduce partial equilibrium assumptions; 6. Justify the assumptions by asymptotic analysis; 7. Identify the limitations of the strategy. Results show that the main advantage of the reduced reaction mechanism is the reduced stiffness of the system of equations.

 

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Last updated: April 27, 2010 10:18 AM