Thermal and oxidative decomposition of bitumen at the Microscale: Kinetic inverse modelling
File(s)Preprint_Fuel_Zanoni et al 2019.pdf (1.48 MB)
Accepted version
Author(s)
Zanoni, Marco AB
Rein, Guillermo
Yermán, Luis
Gerhard, Jason I
Type
Journal Article
Abstract
Understanding the thermal decomposition of fuels and estimating their kinetic parameters are essential for simulating chemical reactions in numerical models. In this work, 2-step, 3-step, 4-step, and 5-step kinetic mechanisms for bitumen combustion were developed. The kinetic parameters were optimized via inverse modelling (genetic algorithm) by coupling thermogravimetry (TG) and differential thermogravimetry (DTG), conducted at 5, 10, 20, and 40 °C min−1 under nitrogen and air atmospheres. A 3-step mechanism that includes competing pyrolysis and oxidation reactions was identified as the simplest mechanism able to appropriately simulate all TG experiments, thus avoiding the need for more complex mechanisms. A unique set of kinetic parameters was found by averaging all the parameters optimized at different heating rates and atmospheres, resulting in an average error of 6% when compared with experimental data. This is the first time that averaged optimized parameters were employed, providing similar results as optimizing against all experiments at once. Differential scanning calorimetry experiments were used to calculate the heat of pyrolysis and oxidation, and showed that char oxidation provided the highest energy release, whereas bitumen and asphaltene oxidation represented a 30–110 times lower heat of reaction. This is the first time that thermogravimetry and differential scanning calorimetry experiments were used to optimize kinetic parameters for bitumen combustion.
Date Issued
2020-03
Date Acceptance
2019-11-19
Citation
Fuel, 2020, 264, pp.1-11
ISSN
0016-2361
Publisher
Elsevier BV
Start Page
1
End Page
11
Journal / Book Title
Fuel
Volume
264
Copyright Statement
© 2019 Elsevier Ltd. All rights reserved. This manuscript is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International Licence http://creativecommons.org/licenses/by-nc-nd/4.0/
Identifier
https://www.sciencedirect.com/science/article/pii/S0016236119320587?via%3Dihub
Subjects
0904 Chemical Engineering
0913 Mechanical Engineering
0306 Physical Chemistry (incl. Structural)
Energy
Publication Status
Published online
Article Number
116704
Date Publish Online
2019-12-10