Chemical kinetic reaction mechanism for the combustion of propane (2022)

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Combustion and Flame

Volume 55, Issue 2,

February 1984

, Pages 213-224

Abstract

A detailed chemical kinetic reaction mechanism for the combustion of propane is presented and discussed. The mechanism consists of 27 chemical species and 83 elementary chemical reactions. Ignition and combustion data as determined in shock tube studies were used to evaluate the mechanism. Numerical simulation of the shock tube experiments showed that the kinetic behavior predicted by the mechanism for stoichiometric mixtures is in good agreement with the experimental results over the entire temperature range examined (1150–2600K). Sensitivity and theoretical studies carried out using the mechanism revealed that hydrocarbon reactions which are involved in the formation of the HO2 radical and the H2O2 molecule are very important in the mechanism and that the observed nonlinear behavior of ignition delay time with decreasing temperature can be interpreted in terms of the increased importance of the HO2 and H2O2 reactions at the lower temperatures.

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      The thermochemical waste-heat recuperation is one for perspective way of increasing the energy efficiency of the fuel-consuming equipment. In this paper, the thermochemical waste-heat recuperation (TCR) by combined steam-dry propane reforming is described. To understand the influence of technological parameter such as temperature and composition of inlet gas mixture on TCR efficiency, thermodynamic equilibrium analysis of combined steam-dry propane reforming was investigated by Gibbs free energy minimization method upon a wide range of temperature (600–1200K) and different feed compositions at atmospheric pressure. The carbon and methane formation was also calculated and shown. From a thermodynamic perspective, the TCR can be used for increasing energy efficiency at temperatures above 950K because in this range the maximum conversion rate is reached (from 1.22 to 1.30 for the different feed composition). Approximately 10mol of synthesis gas can be generated per mole of propane at the temperatures greater than 1000K. Furthermore, the propane conversion rate and yield of hydrogen are increased with the addition of extra steam to the feed stock. Also, undesirable carbon formation can be eliminated by adding steam to the feed. The thermodynamic equilibrium analysis was accomplished by IVTANTHERMO which is a process simulator for thermodynamic modeling of complex chemically reacting systems and several results were checked by Aspen-HYSYS.

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    View full text

    Copyright © 1984 Published by Elsevier Inc.

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