Effect of pressure on the thermo-oxidative behavior of saturates, aromatics, and resins (S-Ar-R) mixtures

Medina, Oscar E.; Gallego, Jaime; Redondo, José Daniel; Cortés, Farid B.; Franco, Camilo A.

doi:10.1016/j.fuel.2021.122787

Cited by 4 publications

(4 citation statements)

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“…Probably the aromatic nuclei are the least reactive under an inert atmosphere and therefore the higher the aromaticity of the structure, the lower the mass loss in LTR. The asphaltenes studied in this work have an aromaticity of 0.69, higher than the resins (0.42) and the aromatics (0.40), therefore, a lower mass loss is observed in the three pressures evaluated. During the second stage, a more marked difference in the thermal profile is observed at 0.084 MPa concerning the other two pressures.…”

Section: Resultsmentioning

confidence: 74%

“…Unfortunately, most previous studies on asphaltene pyrolysis neglected the pressure on the kinetic reaction . We presented the influence of the pressure on the oxidation of asphaltenes as well as the oxidation and pyrolysis of induvial saturates (S), aromatics (A), resins (R), and mixtures SR, AR, and RA. , During those studies, it was identified that pressure plays an important role in the kinetics of the crude oil fractions. However, the pyrolysis and catalytic pyrolysis of asphaltenes is still missing.…”

Section: Introductionmentioning

confidence: 99%

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Molecular Dynamic Simulation and Experiments on n-C₇ Asphaltene Pyrolysis under High-Pressure Conditions Using Ceria-Based Nanocatalysts

Medina

Moncayo-Riascos

Franco

et al. 2023

ACS Appl. Nano Mater.

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This work aims to widen our knowledge about the pyrolysis, and catalytic pyrolysis of asphaltenes at low and high pressure through experimental and simulation approaches. Experimentally, asphaltenes were subjected to high-pressure thermogravimetric analysis obtaining a pressure-dependent behavior. As pressure increases, asphaltene reactivity is reduced by the retardation in the thermal cracking temperature and increment of the coke amount deposition. The coke deposited follows the order 0.084 MPa (8.0%) < 3.0 MPa (10.0%) < 6.0 MPa (11.0%). When ceria-based nanoparticles were used for the catalytic thermal cracking of asphaltenes, it was obtained that during the low-temperature range (<250 °C), the amount of mass lost was 60, 45, and 38% at 0.084, 3.0, and 6.0 MPa, respectively. The rest of the asphaltenes are cracked in the high-temperature region (HTR), which means that coke is not produced in the catalytic reaction regardless of the system pressure. Molecular dynamic calculations were done based on the ReaxFF potential to provide an atomistic description of asphaltene pyrolysis at 0.084 and 6.0 MPa. The theoretical results were compared with those obtained experimentally, achieving successful reproducibility. During the LTR region, the asphaltene aggregate integrity remains without significant changes, whereas most structural changes in the HTR were obtained. The number of the species increases with the rising temperature, obtaining at 0.084 MPa, 32, 1515, and 4065 species at 300, 450, and 550 °C, respectively, whereas at 6.0 MPa, 28, 589, and 867 species at 300, 450, and 550 °C were obtained. The variety of the molecules was found to be higher at 450 °C due to the breaking of a large number of complex hydrocarbons. This result corroborates that asphaltenes mainly react during HTR, and with increasing pressure, the rate of reaction is negatively affected. The species are mainly found in the form of reactive radicals such as CHO2 (carboxyl radical), OH (hydroxyl radical), and CHO (aldehyde radical), and molecules of CO2, H2O, CH2O, and CO are observed as major O-containing gas products that account for most of the gas phase.

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Section: Resultsmentioning

confidence: 74%

Section: Introductionmentioning

confidence: 99%

Molecular Dynamic Simulation and Experiments on n-C₇ Asphaltene Pyrolysis under High-Pressure Conditions Using Ceria-Based Nanocatalysts

Medina

Moncayo-Riascos

Franco

et al. 2023

ACS Appl. Nano Mater.

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“…To correct the buoyancy effect of the gas flow, for each test, two different runs were accomplished with empty and solid-filled sample containers. Then, the obtained mass profile for each sample was reduced for the empty sample container. − Figure shows the schematic diagram of the experimental system assembled for CO 2 sorption in flue gas streams.…”

Section: Methodsmentioning

confidence: 99%

Enhanced Carbon Storage Process from Flue Gas Streams Using Rice Husk Silica Nanoparticles: An Approach in Shallow Coal Bed Methane Reservoirs

et al. 2023

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Carbon capture and storage (CCS) is considered a key process to reach net-zero emission by the 2050 aim of limiting global warming. Coal bed methane (CBM) is considered potential geological reservoirs for underground CCS due to the CO2–CH4 exchange feasibility by adsorptive phenomena. Global implementation has been focused only on deep reservoirs to provide methane recovery. Thus, this work proposes a modified CCS process based on silica nanoparticle inclusion for shallow CBM reservoirs (<300 m). The nanomaterials were evaluated at high pressure in two main stages including i) CO2 sorption on a single CO2 stream and ii) CO2 selectivity on a flue gas stream (N2–CO2 mixture). This work includes silica nanomaterial synthesized from rice husk as agro-waste sources with better technical-economic feasibility framed in a circular economy to reduce costs and maximize the use of available resources. Rice husk silica (RSi) nanoparticles were doped with 1.0, 3.0, and 5.0 wt % of urea (Si–U), diethylamine (Si-DE), triethylamine (Si-TE), and ethylenediamine (Si-EM) to enhance the CO2 sorption. First, CO2 sorption was evaluated at 30 °C and between 0.084 and 3 MPa using a CO2 stream to determine the best-doped amount of each N-source. Then, the best nanoparticles were used to impregnate CBM at 10 and 20 wt %, and the subsequent CO2 storage on the flue gas stream (70% v/v N2 and 30% v/v CO2) was done. The results showed that CO2 sorption on RSi increases with the N-group coating in the order RSi-DE < RSi-TE < RSi-U < RSi-EM. Also, the best-doped amount for each N-source was 3 wt %. For CBM impregnation, the nanofluid containing 20 wt % of RSi-EM3 presented the best yield increasing the CO2 sorption from 0.05 to 0.75 mmol g–1, meaning an increase of more than 1000% in the sorption capacity.

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“…Removing asphaltenes from crude oil would help to improve the crude oil quality and consequently reduce the costs of crude oil production and transportation, also generating a lower environmental impact [16]. Accordingly, several in situ technologies have been used for improving HO and EHO production to reduce the viscosity of the oil [17]. Procedures such as solvent injection, steam, and gas injection, as well as mechanical or thermal methods, are commonly used [14,[18][19][20][21][22].…”

Section: Introductionmentioning

confidence: 99%

Catalytic Decomposition of n-C7 Asphaltenes Using Tungsten Oxides–Functionalized SiO2 Nanoparticles in Steam/Air Atmospheres

et al. 2022

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A wide range of technologies are being developed to increase oil recovery, reserves, and perform in situ upgrading of heavy crude oils. In this study, supported tungsten oxide nanoparticles were synthesized, characterized, and evaluated for adsorption and catalytic performance during wet in situ combustion (6% of steam in the air, in volumetric fraction) of n-C7 asphaltenes. Silica nanoparticles of 30 nm in diameter were synthesized using a sol–gel methodology and functionalized with tungsten oxides, using three different concentrations and calcination temperatures: 1%, 3%, 5% (mass fraction), and 350 °C, 450 °C, and 650 °C, respectively. Equilibrium batch adsorption experiments were carried out at 25 ℃ with model solutions of n-C7 asphaltenes diluted in toluene at concentrations from 100 mg·L−1 to 2000 mg·L−1, and catalytic wet in situ combustion of adsorbed heavy fractions was carried out by thermogravimetric analysis coupled to FT-IR. The results showed improvements of asphaltenes decomposition by the action of the tungsten oxide nanoparticles due to the reduction in the decomposition temperature of the asphaltenes up to 120 °C in comparison with the system in the absence of WOX nanoparticles. Those synthesis parameters, such as temperature and impregnation dosage, play an important role in the adsorptive and catalytic activity of the materials, due to the different WOX–support interactions as were found through XPS. The mixture released during the catalyzed asphaltene decomposition in the wet air atmosphere reveals an increase in light hydrocarbons, methane, and hydrogen content. Hydrogen production was prioritized between 300 and 400 °C where, similarly, the reduction of CO, CH4, and the increase in CO2 content, associated with water–gas shift, and methane reforming reactions occur, respectively. The results show that these catalysts can be used either for in situ upgrading of crude oil, or any application where heavy fractions must be transformed.

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Effect of pressure on the thermo-oxidative behavior of saturates, aromatics, and resins (S-Ar-R) mixtures

Cited by 4 publications

References 44 publications

Molecular Dynamic Simulation and Experiments on n-C₇ Asphaltene Pyrolysis under High-Pressure Conditions Using Ceria-Based Nanocatalysts

Molecular Dynamic Simulation and Experiments on n-C₇ Asphaltene Pyrolysis under High-Pressure Conditions Using Ceria-Based Nanocatalysts

Enhanced Carbon Storage Process from Flue Gas Streams Using Rice Husk Silica Nanoparticles: An Approach in Shallow Coal Bed Methane Reservoirs

Catalytic Decomposition of n-C7 Asphaltenes Using Tungsten Oxides–Functionalized SiO2 Nanoparticles in Steam/Air Atmospheres

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Effect of pressure on the thermo-oxidative behavior of saturates, aromatics, and resins (S-Ar-R) mixtures

Cited by 4 publications

References 44 publications

Molecular Dynamic Simulation and Experiments on n-C7 Asphaltene Pyrolysis under High-Pressure Conditions Using Ceria-Based Nanocatalysts

Molecular Dynamic Simulation and Experiments on n-C7 Asphaltene Pyrolysis under High-Pressure Conditions Using Ceria-Based Nanocatalysts

Enhanced Carbon Storage Process from Flue Gas Streams Using Rice Husk Silica Nanoparticles: An Approach in Shallow Coal Bed Methane Reservoirs

Catalytic Decomposition of n-C7 Asphaltenes Using Tungsten Oxides–Functionalized SiO2 Nanoparticles in Steam/Air Atmospheres

Contact Info

Product

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Molecular Dynamic Simulation and Experiments on n-C₇ Asphaltene Pyrolysis under High-Pressure Conditions Using Ceria-Based Nanocatalysts

Molecular Dynamic Simulation and Experiments on n-C₇ Asphaltene Pyrolysis under High-Pressure Conditions Using Ceria-Based Nanocatalysts