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. 2025 Apr 21;15(1):13667.
doi: 10.1038/s41598-025-98494-y.

Kinetic modeling and CFD simulation of in-situ heavy oil upgrading using batch reactors and porous media

Arman Aryanzadeh  1 , Arezou Jafari  2 , Mahdi Abdi-Khanghah  2
Affiliations

Kinetic modeling and CFD simulation of in-situ heavy oil upgrading using batch reactors and porous media

Arman Aryanzadeh et al. Sci Rep. .

Abstract

The depletion of conventional oil reserves and rising global energy demand necessitate efficient extraction methods for unconventional resources like heavy oil. This study successfully applies the coupling of chemical reaction kinetics with fluid dynamics in porous media for in-situ heavy oil upgrading, extending existing models to dynamic conditions. Using advanced kinetic modeling and Computational Fluid Dynamics (CFD), catalytic reactions are analyzed employing a Ni-W-Mo catalyst. The primary aim of this study is to investigate the effects of temperature, oil composition, and residence time on the upgrading process and the resulting product distribution. Simulations were first performed in a non-porous batch reactor to identify optimal reaction conditions, followed by modeling reactive flow in porous media to better simulate real-world reservoir conditions. The results show that temperature and residence time significantly influence conversion rates and product yields, with a 30% increase in lighter hydrocarbon production as the reaction temperature is raised from 575 to 700 K. These findings emphasize the importance of dynamic modeling in optimizing in-situ upgrading processes and provide insights into improving unconventional oil recovery techniques. This research provides a comprehensive framework to enhance the understanding of complex chemical and hydrodynamic interactions in porous media, contributing to the development of more effective oil recovery strategies for unconventional resources.

Keywords: Catalysts; Enhanced oil recovery (EOR); Heavy oil; In-situ upgrading; Porous media; Reaction kinetic.

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Conflict of interest statement

Competing interests: The authors declare no competing interests.

Figures

Fig. 1
Fig. 1
600 µm × 600 µm porous media model and the boundary conditions used for the modeling creeping reactive flow in porous media.
Fig. 2
Fig. 2
Mesh independency results based on the bitumen conversion.
Fig. 3
Fig. 3
A triangular mesh was employed to create the grid within the porous medium.
Fig. 4
Fig. 4
Contour of the mesh size distribution in the porous media.
Fig. 5
Fig. 5
Reaction network for in-situ upgrading of heavy oil using Ni–Mo–W catalyst.
Fig. 6
Fig. 6
The Arrhenius plot for in-situ upgrading reactions of crude oil in a non-porous discontinuous reactor based on the reaction network.
Fig. 7
Fig. 7
The concentration diagrams of oil components after upgrading reactions for oil type 1.
Fig. 8
Fig. 8
The concentration diagrams of oil components after upgrading reactions for oil type 2.
Fig. 9
Fig. 9
Distribution map for Reynolds number in porous media.
Fig. 10
Fig. 10
Pressure contour map in porous media.
Fig. 11
Fig. 11
Velocity magnitude distribution map in porous media.
Fig. 12
Fig. 12
The production profile of products during in-situ upgrading at 575K, a) Oil Type 1, b) Oil Type 2.
Fig. 13
Fig. 13
The production profile of products during in-situ upgrading at 600K, (a) Oil Type 1, (b) Oil Type 2.
Fig. 14
Fig. 14
The production profile of products during in-situ upgrading at 630K, (a) Oil Type 1, (b) Oil Type 2.
Fig. 15
Fig. 15
The production profile of products during in-situ upgrading at 650K, (a) Oil Type 1, (b) Oil Type 2.
Fig. 16
Fig. 16
The production profile of products during in-situ upgrading at 675K, (a) Oil Type 1, (b) Oil Type 2.
Fig. 17
Fig. 17
The production profile of products during in-situ upgrading of at 700K, (a) Oil Type 1, (b) Oil Type 2.
Fig. 18
Fig. 18
The distribution maps of Residue and Naphtha at the end of the simulation at two temperatures, 575 Kelvin (a and b) and 700 Kelvin (c and d), for oil type 1.
Fig. 19
Fig. 19
The distribution maps of Residue and Naphtha at the end of the simulation at two temperatures, 575 Kelvin (a and b) and 700 Kelvin (c and d), for oil type 2.
Fig. 20
Fig. 20
The production profile of upgraded products in the two-phase simulation for Type 1 oil at a temperature of 595 Kelvin.
Fig. 21
Fig. 21
The production profile of upgraded products in the two-phase simulation for Type 2 oil at a temperature of 595 Kelvin.
Fig. 22
Fig. 22
The production profile of upgraded products in the two-phase simulation for Type 2 oil at a temperature of 650 Kelvin.
Fig. 23
Fig. 23
The concentration distribution of heavy compounds (Residue) in Type 1 crude oil at 595K.
Fig. 24
Fig. 24
The concentration distribution of heavy compounds (Residue) in Type 1 crude oil at 650K.
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