Catalytic Mechanism and Kinetics

Félix, Guillermo; Tirado, Alexis; Al‐Muntaser, Ameen A.; Varfolomeev, Mikhail A.; Yuan, Chengdong; Ancheyta, Jorge

doi:10.1002/9781119871507.ch7

Cited by 11 publications

(2 citation statements)

References 116 publications

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“…Figure depicts the selected reaction scheme considering each possible reaction pathway among the five lumped pseudocomponents, where for each reaction, a kinetic expression was formulated considering that the water yield and corresponding stoichiometric coefficient for each reaction pathway are lumped into an apparent reaction rate coefficient ( k j ). Moreover, the reaction rate ( r j ) follows a first-order kinetics. , Therefore, the mass balance for the reaction scheme is formulated by the following system of ordinary differential equations concerning the reaction time ( t ) and yield of each pseudocomponent i ( y i ): asphaltenes (As), resins (Re), aromatics (Ar), saturates (Sa), and reaction gas (gas). normald y As normald t = prefix− ( k 1 + k 10 + k 11 + k 12 ) y As + k 2 y normalR normale normald y normalR normale normald t = prefix− ( k 2 + k 3 + k 5 + k 7 ) y normalR normale + k 1 y As + k 4 y normalA normalr normald y normalA normalr normald t = prefix− ( k 4 + k 8 + k 9 ) …”

Section: Kinetic Modelingmentioning

confidence: 99%

Kinetics of Non-Catalytic Aquathermolysis of Heavy Crude Oil in the Presence of a Hydrogen Donor

Tirado,

Félix,

Al-Muntaser

et al. 2024

Ind. Eng. Chem. Res.

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The research for increasing the performance of novel technologies for the production and upgrading of heavy crude oil reserves through the development and selection of adequate catalyst precursors and hydrogen donors has been raised to address the growing energy demand. Studies based on complex kinetic models are required to achieve a better understanding of the effect of hydrogen donors and their reaction mechanisms for the aquathermolysis of heavy crude oil. In this study, the kinetic effect of decalin as a hydrogen donor on aquathermolysis of heavy crude oil was analyzed under a temperature range of 250−300 °C, a water/oil ratio of 3:7, and reaction periods of up to 72 h. A fivelump kinetic model was developed to study the reaction behavior of the SARA fractions and gas production, where the calculated kinetic parameters provided an adequate agreement with average absolute error values lower than 5% concerning experimental data. The model results indicated that in experiments in the presence of decalin, the conversion of asphaltenes presents a higher selectivity toward resins and aromatic compounds. On the other hand, the formation of secondary asphaltenes produced from resins is inhibited, showing an improvement in the selectivity of aromatic compounds from this fraction.

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Section: Kinetic Modelingmentioning

confidence: 99%

Kinetics of Non-Catalytic Aquathermolysis of Heavy Crude Oil in the Presence of a Hydrogen Donor

Tirado,

Félix,

Al-Muntaser

et al. 2024

Ind. Eng. Chem. Res.

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“…Otherwise, the kinetic model can present a mathematical agreement that does not provide realistic data about the component distribution during the reaction. Thus, the development of proper kinetic models is indispensable to represent the reaction mechanisms. , Li et al studied the reaction kinetics of asphaltene from Tahe heavy crude oil using an asphaltene/water ratio of 1:2 g/mL in the temperature range of 400–450 °C. Reaction products for asphaltene upgrading were lumped into maltene, gas, and coke compounds.…”

Section: Introductionmentioning

confidence: 99%

Kinetic Analysis of Asphaltene Conversion under Supercritical Water Conditions

Tirado,

Félix,

Varfolomeev

et al. 2024

Ind. Eng. Chem. Res.

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Kinetic studies of chemical compounds in crude oil are essential to provide a better understanding of the reaction mechanisms occurring under heavy crude oil upgrading conditions. This study analyzes the reaction kinetics of asphaltenes, the most complex fraction of crude oil, under supercritical water (SCW) conditions for the upgrading of heavy crude oil. Experimental data reported in the literature and a proper reaction scheme were analyzed to develop kinetic models capable of predicting the reactive behavior of asphaltenes and their reaction products. The results showed that asphaltenes are mainly converted to coke, while the selectivity toward maltene and gas compounds varies considerably concerning the reaction temperature. Additionally, produced maltenes undergo cracking reactions to produce gases or condensation/polyaddition, generating asphaltenes. Furthermore, the effect of NaOH on the diverse reaction rates during asphaltene conversion was analyzed. The predictions of the developed models show adequate agreement with the experimental data, corroborating that the proposed reaction scheme correctly represents the asphaltene transformation and its reaction products under SCW conditions.

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