Oxidation of N-hexadecane and crude oil in response to injection of a CO2/O2 mixture under depleted reservoir conditions: Experimental and kinetic modeling preliminary results

Pacini-Petitjean, Claire; Faure, Pierre; Burklé-Vitzthum, Valérie; Randi, Aurélien; Pironon, Jacques

doi:10.1016/j.ijggc.2014.12.024

Cited by 7 publications

(8 citation statements)

References 37 publications

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“…Pyrolysis of heavy oil plays a vital role in modern industries because the products, i.e., various straight-chain and branchedchain chemicals, are all widely used in the energy and chemical industry. Combustion of organic fuels including gasoline, kerosene, and diesel meets the 85% energy demand, 1 which is still increasing year by year. 2 Additionally, as the primary products and fundamental chemical raw materials, ethylene and propylene consumption are steadily rising.…”

Section: Introductionmentioning

confidence: 99%

“…Pyrolysis of heavy oil plays a vital role in modern industries because the products, i.e., various straight-chain and branched-chain chemicals, are all widely used in the energy and chemical industry. Combustion of organic fuels including gasoline, kerosene, and diesel meets the 85% energy demand, which is still increasing year by year . Additionally, as the primary products and fundamental chemical raw materials, ethylene and propylene consumption are steadily rising. − According to reports, the majority of ethylene and propylene used in industries are produced by pyrolysis of heavy oil. , To release the pressure of energy shortage and improve the utilization efficiency of energy, production of low-carbon fuel , and even no-carbon fuel at less cost has been becoming a new task for the research of heavy oil pyrolysis …”

Section: Introductionmentioning

confidence: 99%

“…An alternative solution is to use one model compound to represent heavy oil. For example, hexadecane has been chosen as the model compound of heavy oil by many researchers ,− over several decades due to its wide existence in heavy oil and low cost. Besides, its relative molecular weight is equivalent to the average molecular weight of diesel.…”

Section: Introductionmentioning

confidence: 99%

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High-Temperature and High-Pressure Pyrolysis of Hexadecane: Molecular Dynamic Simulation Based on Reactive Force Field (ReaxFF)

2017

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As important products of heavy oil pyrolysis, heavier components such as gasoline and diesel supply the vast majority of energy demand through combustion, and lighter components such as ethylene and propylene are the main sources of industrial chemicals and plastic products. In this work, pyrolysis of hexadecane, as the model compound, was studied by reactive force field (ReaxFF) molecular simulation at high temperatures and high pressures. It was confirmed by unimolecular simulations that there exist eight different initial mechanisms all starting with C-C bond dissociation. The biradical mechanism was verified, through which the pyrolysis process can be accomplished within a shorter time. The enthalpy of reaction was calculated by the QM method, which was well consistent with ReaxFF calculation results. Multimolecular simulations showed that there is a strong dependency relationship between products distribution and temperature, as well as that between reaction rates and temperature. The optimal condition for ethylene formation in our work is 11.6 MPa and 2000 K, whereas it is best for hydrogen formation at conditions of 11.6 MPa and 3500 K. Kinetic analysis was performed with the activation energy of 113.03 kJ/mol and pre-exponential factor of 4.55 × 10, and it is in good agreement with previous work.

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Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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High-Temperature and High-Pressure Pyrolysis of Hexadecane: Molecular Dynamic Simulation Based on Reactive Force Field (ReaxFF)

2017

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“…Mineral salts (MS) medium was used for cell maintenance and growth (Schlegel et al, 1961). Hexadecane was chosen as a model contaminant since it is usually used as the main representative compound of aliphatic hydrocarbons, one of the dominant groups found in crude oil and derivatives (Pacini-Petitjeana et al, 2015). This compound was used in the assays as carbon and energy source at 1 g L −1 .…”

Section: Bacterial Strain Media and Cultivation Conditionsmentioning

confidence: 99%

Production of added value bacterial lipids through valorisation of hydrocarbon-contaminated cork waste

Castro

Guimarães

Oliveira

et al. 2017

Science of The Total Environment

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This work demonstrates that cork used as oil-spill sorbents, contaminated with liquid hydrocarbons, herein demonstrated with hexadecane, can be biologically treated by Rhodococcus opacus B4 with concomitant lipids production. R. opacus B4 consumed up to 96% of hexadecane (C16) impregnated in natural and regranulated cork sorbents after 48h incubation, producing 0.59±0.06g of triacylglycerol (TAG) g of C16 consumed with a TAG content of 0.60±0.06gg of cellular dry weight (CDW) and 0.54±0.05g TAG g of C16 consumed with a TAG content of 0.77±0.04gg (CDW), respectively. TAG was mainly composed by fatty acids of 16 and 18 carbon chains demonstrating the feasibility of using it as raw material for biodiesel production. In addition, the obtained lipid-rich biomass (whole cells) can be used for biomethane production, at a yield of 0.4L CH g (CDW). The obtained results support a novel approach for management of oil-spill contaminated cork sorbents through its valorisation by producing bacterial lipids, which can be used as feedstocks for biofuels production.

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“…[10][11][12][13][14][15], and the hydrocarbon oxidation by the O 2 impurity, e.g. [16][17]. However, it has been suggested that except for the cases of SO x and NO x , the chemical effects of co-injected impurities would be minor [18].…”

Section: Introductionmentioning

confidence: 99%

Numerical investigation of the partitioning phenomenon of carbon dioxide and multiple impurities in deep saline aquifers

Jiang

2017

Applied Energy

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Highlights• The partitioning behaviours of impure CO 2 in geological formations are investigated.• The effects of N 2 , CH 4 or the mixture of N 2 and CH 4 are generally similar.• Less soluble N 2 and CH 4 enhance gas breakthroughs and the partitioning.• More soluble species such as H 2 S dissolves preferentially in the formation brine. AbstractThe partitioning behaviours of CO 2 with three kinds of common impurities, i.e., N 2 , CH 4 and H 2 S, in the formation brine are investigated by numerical simulations. The results indicate that the effects of N 2 , CH 4 or the mixture of N 2 and CH 4 at the same concentrations are generally similar. The leading gas front is usually made up of less soluble impurities, such as N 2 , CH 4 or the mixture of N 2 and CH 4 , while more soluble species such as H 2 S has dissolved preferentially in the formation brine. The separations between different gas species increase as the gas displacement front migrates forwards and contacts more of the aqueous phase. Compared with the partitioning results of the 98% CO 2 and 2% H 2 S mixture, the results indicate that the inclusion of less soluble N 2 and/or CH 4 results in an earlier gas breakthrough and a longer delay between the breakthrough times of CO 2 and H 2 S. The early breakthrough of the gas phase is mainly because that the addition of N 2 and/or CH 4 lowers the viscosity of the gas phase, resulting in a higher gas velocity than that of the CO 2 -H 2 S mixture. Meanwhile, the mobility ratio is higher and the gas mixture contacts the formation brine over a larger area, giving rise to more efficient stripping of the more soluble gas species like H 2 S and thus larger separations. In the meantime, with the same total concentrations of impurities (12%), when 2% H 2 S is contained in the CO 2 streams, gas phase flows slower and thus the breakthrough time is later. Furthermore, the effects on the partitioning phenomenon are weaker with decreasing concentrations of N 2 and/or CH 4 (from 10% to 2%) with fixed concentrations of other impurity like H 2 S (2%). The migration distances and the separations between different gas species change linearly with time on the whole, as confirmed by a simulation in a longer model.

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Oxidation of N-hexadecane and crude oil in response to injection of a CO2/O2 mixture under depleted reservoir conditions: Experimental and kinetic modeling preliminary results

Cited by 7 publications

References 37 publications

High-Temperature and High-Pressure Pyrolysis of Hexadecane: Molecular Dynamic Simulation Based on Reactive Force Field (ReaxFF)

High-Temperature and High-Pressure Pyrolysis of Hexadecane: Molecular Dynamic Simulation Based on Reactive Force Field (ReaxFF)

Production of added value bacterial lipids through valorisation of hydrocarbon-contaminated cork waste

Numerical investigation of the partitioning phenomenon of carbon dioxide and multiple impurities in deep saline aquifers

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