Kinetic study of asphaltenes phase separation in supercritical water upgrading of heavy oil

Yu, Dong; Zhao, Qiuyang; Zhou, Yantao; Zheng, Lichen; Jin, Hui; Bawaa, Baercheng; Guo, Liejin

doi:10.1016/j.fuproc.2022.107588

Cited by 19 publications

(17 citation statements)

References 77 publications

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“…In addition, the increase in the number of carbon atoms (increase in the chain length or ring number) was detrimental to the solubility of the oil molecule, while the isomeric phenomenon of chain alkanes and the change in the heteroatom species in asphaltenes did not significantly affect the solubility characteristics of the oil molecule. This contributes to the understanding of the product distribution during thermal recovery and in situ upgrading, for example, which explained our previous work for the higher content of aromatic hydrocarbon fractions than saturated hydrocarbon fractions during SCW upgrading 32 and MCTF thermal recovery 21 of heavy oil. From the comparison of solvent types, at 673 K, 0.3 g cm −3 , SCW and MCTF showed similar solubilization abilities for nonpolar molecules, while SCW showed stronger solubilization ability for polar molecules than MCTF.…”

Section: Introductionmentioning

confidence: 58%

“…They similarly concluded that bitumen-SCW mixtures conform to type IIIb phase behavior. Dong et al 32 developed a kinetic model for the reaction of Shengli heavy oil in SCW and analyzed the phase behavior of each component of heavy oil in SCW. They concluded that the saturated fraction can be completely dissolved in SCW, the aromatic and resin fractions can only be partially dissolved, and the asphaltene fraction exists in the form of clusters in SCW.…”

Section: Introductionmentioning

confidence: 99%

“…26,33 For the upgrading process much above the critical point, experiments are mostly performed with batch reactors. 32 The possible phase structure far from the critical point is mainly inferred from the analysis of the products. Therefore, theoretical approaches and molecular dynamics (MD) simulations were also attempted to predict the phase structure of heavy oil in SCW.…”

Section: Introductionmentioning

confidence: 99%

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Molecular dynamics simulation of heavy oil dissolution in supercritical water and multi-component thermal fluid

Zhao

Zheng

et al. 2023

Sustainable Energy Fuels

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Section: Introductionmentioning

confidence: 58%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Molecular dynamics simulation of heavy oil dissolution in supercritical water and multi-component thermal fluid

Zhao

Zheng

et al. 2023

Sustainable Energy Fuels

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“…Obviously, it is difficult to find the analytical solution, and it is more suitable to find the numerical solution by a computer. In this paper, the Runge–Kutta fourth-order method is used to calculate the amount of each component in each time step . The right side of eqs – is written as the function F i ( i = 1, 2, 3, 4, 5, 6, and 7). normald C Sa normald t = F 1 ( C Sa , C Ar , C Re , C As , C SO , C G , C W ) normald C Ar normald t = F 2 ( C Sa , C Ar , C Re , C As , C SO , C G , C W ) normald C Re normald t = F 3 …”

Section: Resultsmentioning

confidence: 99%

“…In the reaction kinetics model in this paper, the residual sum of squares (SSR) of the fitted value and experimental value is taken as the objective function, and the value of the reaction rate constant “ k⃗ ” is determined by minimizing the objective function, as shown in eq .25ex2ex normalSSR ( k⃗ ) = prefix∑ i = 1 n ∑ j = 1 m false( W p i , t j , fit − W p i , t j , experiment false) 2 k⃗ = { k 1 , k 2 , k 3 , k 4 , k 5 f , k 5 r , k 6 f , k 6 r , k 7 f , k 7 r , k 8 , k 9 ,…”

Section: Resultsmentioning

confidence: 99%

Reaction Kinetics Study on Hydrocarbon Generation of Medium- and Low-Maturity Organic-Rich Shale in Supercritical Water

Xie,

Zhao,

Jin

et al. 2023

Energy Fuels

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In this study, the dominant path of hydrocarbon generation in supercritical water of granular medium- and low-maturity organic-rich shale is determined as well as the mechanism of supercritical water in the process of hydrocarbon generation of granular medium- and low-maturity organic-rich shale. The kinetics of hydrocarbon generation in supercritical water from granular medium- and low-maturity organic-rich shale was studied. A dynamic model of the hydrocarbon generation reaction of granular medium- to low-maturity organic-rich shale in supercritical water was constructed. The Runge–Kutta fourth-order algorithm and basin hopping algorithm were used to solve the fitting parameters. The model consisted of 11 parallel first-order reactions, which could accurately predict the mass fraction of the hydrocarbon generation products of granular medium- and low-maturity organic-rich shale in supercritical water and reveal the mechanism of the hydrocarbon generation reaction of medium- and low-maturity organic-rich shale in supercritical water. It was found that the hydrocarbon generation pathways of granular medium- and low-maturity organic-rich shale in supercritical water mainly consisted of direct generation of asphaltenes and saturated hydrocarbons from kerogen, pyrolysis of asphaltenes to saturated hydrocarbons, aromatic hydrocarbons, and resins, polymerization of resins to asphaltenes, and gas generation from saturated hydrocarbons, resins, and asphaltenes. The role of supercritical water facilitated the direct generation of saturated hydrocarbons from kerogen.

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Polycardanol's potential to deasphalt crude oil: Influence of polymer conversion degree, molar mass, and structure

2023

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Cardanol is a natural material that acts to stabilize asphaltenes in crude oil. However, its derivative, polycardanol, obtained via cationic polymerization, has divergent behaviour, with reports of its acting both as asphaltenes stabilizer and flocculant. Recently, it was demonstrated that the reaction conditions influence the conversion rates, structures, and molar masses of the products from synthesizing polycardanol initiated with BF3 · O(C2H5)2. Seeking to elucidate the influence of these variables on the phase behaviour of asphaltenes, in this work six products, previously synthesized and characterized, had their performance evaluated by asphaltenes precipitation onset, using n‐heptane titration and monitoring by near‐infrared spectroscopy, using asphaltenes model systems (C5I and C7I) at 1.00 wt./vol.% in toluene. All the products had the ability to flocculate asphaltenes and have potential for deasphalting process. Flocculation efficiency increased with rising molar mass, higher reaction conversion degree, and presence of lateral hydrocarbon chains. The most efficient structures were not affected by the presence of unreacted cardanol. This indicated that the reaction does not require a purification step. Aged cardanol was also able to produce flocculant polymer, indicating that the distillation of cardanol is not required. The cost to obtain a product without needing reagent distillation becomes lower.

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Kinetic study of asphaltenes phase separation in supercritical water upgrading of heavy oil

Cited by 19 publications

References 77 publications

Molecular dynamics simulation of heavy oil dissolution in supercritical water and multi-component thermal fluid

Molecular dynamics simulation of heavy oil dissolution in supercritical water and multi-component thermal fluid

Reaction Kinetics Study on Hydrocarbon Generation of Medium- and Low-Maturity Organic-Rich Shale in Supercritical Water

Polycardanol's potential to deasphalt crude oil: Influence of polymer conversion degree, molar mass, and structure

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