Improvement in CO2 geo-sequestration in saline aquifers by viscosification: From molecular scale to core scale

Afra, Salar; Alhosani, Mohamed H.; Firoozabadi, Abbas

doi:10.1016/j.ijggc.2023.103888

Cited by 16 publications

(3 citation statements)

References 52 publications

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“…There is a genuine interest in larger 1-decene oligomers for carbon dioxide thickening, among other applications. We expand the calculations to larger molecules up to the 1-decene decamer.…”

Section: Resultsmentioning

confidence: 99%

“…1-Decene oligomers are good candidates. Recently, these molecules have been proven to significantly increase carbon dioxide viscosity, both experimentally 6,7 and through Dissipative Particle Dynamics simulations. 8 To turn such an alternative into a viable technology in carbon dioxide sequestration, an accurate prediction of the viscosity of the pure oligomers is a crucial step.…”

Section: ■ Introductionmentioning

confidence: 99%

“…1-Decene oligomers are good candidates. Recently, these molecules have been proven to significantly increase carbon dioxide viscosity, both experimentally , and through Dissipative Particle Dynamics simulations …”

Section: Introductionmentioning

confidence: 99%

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Computation of Shear Viscosity by a Consistent Method in Equilibrium Molecular Dynamics Simulations: Applications to 1-Decene Oligomers

Mercier Franco,

Firoozabadi

2023

J. Phys. Chem. B

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Accurate computation of shear viscosity is fundamental for describing fluid flow and designing and developing new processes. Poly-α-olefins (PAO’s), particularly from 1-decene, have been applied to a variety of industrial processes. Recently, these molecules have been applied as carbon dioxide thickeners, enhancing carbon dioxide viscosity, which is important in carbon dioxide injection, either for enhanced oil recovery or sequestration in geological formations. For these applications, knowledge of the pure oligomer viscosity is crucial to design and operate the oligomer upstream pipelines before mixing them with carbon dioxide. Using Green–Kubo formalism with equilibrium molecular dynamics simulations, two methods are presented in the literature to generate the traceless, symmetric pressure tensor. In this work, we show that these two methods provide different values of shear viscosity, from the analysis of how the diagonal components of the traceless, symmetric pressure tensor are computed in each method. Then, we examine the consistency and correctness of each method: one is found to be consistent. The other is corrected by scaling the fluctuations of the diagonal components. Shear viscosities of supercritical carbon dioxide, vapor and liquid n-pentane, and liquid n-decane are computed to illustrate the analysis. We also apply the consistent method to compute the viscosity of 1-decene oligomers, including for the first time larger-than-dimer oligomers (trimer, tetramer, hexamer, and decamer).

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Section: Resultsmentioning

confidence: 99%

Section: ■ Introductionmentioning

confidence: 99%

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Computation of Shear Viscosity by a Consistent Method in Equilibrium Molecular Dynamics Simulations: Applications to 1-Decene Oligomers

Mercier Franco,

Firoozabadi

2023

J. Phys. Chem. B

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Synergistic CO2 mineralization using coal fly ash and red mud as a composite system

Yao,

Wang,

Shen

et al. 2024

Int J Coal Sci Technol

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CO2 mineralization plays a critical role in the storage and utilization of CO2. Coal fly ash (CFA) and red mud (RM) are widely utilized as CO2 mineralizers. However, the inert calcium species in CFA limit its carbonation capacity, meanwhile the substantial Ca2+ releasing of RM is hindered by a covering layer of calcium carbonate. In this study, CO2 mineralization in a composite system of CFA and RM was investigated to enhance the carbonation capacity. Multiple analyzers were employed to characterize the raw materials and resulting mineralization products. The results demonstrated that a synergistic effect existed in the composite system of CFA and RM, resulting in improving CO2 mineralization rate and efficiency. The produced calcium carbonate was ectopically attached the surface of CFA in the composite system, thus slowing down its coverage on the surface of RM. This phenomenon facilitated further releasing Ca2+ from the internal RM, thereby enhancing CO2 mineralization efficiency. Meanwhile, the inclusion of RM significantly improved the alkalinity of the composite system, which not only promoted the dissolution of Ca2+ of the inert CaSO4(H2O)2 in CFA, but also accelerated CO2 mineralization rate. The investigation would be beneficial to CO2 mineralization using industrial solid wastes.

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Numerical sensitivity analysis of CO2 mineralization trapping mechanisms in a deep saline aquifer

Bello,

Dorhjie,

Ivanova

et al. 2024

Chemical Engineering Science

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Improvement in CO2 geo-sequestration in saline aquifers by viscosification: From molecular scale to core scale

Cited by 16 publications

References 52 publications

Computation of Shear Viscosity by a Consistent Method in Equilibrium Molecular Dynamics Simulations: Applications to 1-Decene Oligomers

Computation of Shear Viscosity by a Consistent Method in Equilibrium Molecular Dynamics Simulations: Applications to 1-Decene Oligomers

Synergistic CO2 mineralization using coal fly ash and red mud as a composite system

Numerical sensitivity analysis of CO2 mineralization trapping mechanisms in a deep saline aquifer

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