Application of DSC to study the promoting effect of a small amount of high donor number solvent on the solvent swelling of kerogen with non-covalent cross-links in non-polar solvents

Hruljova, Jelena; Oja, Vahur

doi:10.1016/j.fuel.2015.01.054

Cited by 7 publications

(5 citation statements)

References 21 publications

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“…There have been extensive experiments on the adsorption of gases in shales and kerogens. − However, experiments on gas sorption-induced shale swelling are limited. , The extensive experiments performed on liquid sorption-induced kerogen swelling − have mainly been conducted at room conditions. Larsen et al − have measured swelling of different types of kerogen; the measured swelling is in the range of 10 to 25% in normal pentane ( n -C 5 H 12 ) and normal heptane ( n -C 7 H 16 ).…”

Section: Introductionmentioning

confidence: 99%

Kerogen Swelling in Light Hydrocarbon Gases and Liquids and Validity of Schroeder’s Paradox

Firoozabadi

2021

J. Phys. Chem. C

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Kerogen is often the organic part of the shale and provides the pore space for a large part of the hydrocarbons in place. Kerogen molecules are flexible like polymer molecules, and may swell when in contact with specific solvents. The difference in swelling of a polymer when exposed to a pure liquid versus its saturated vapor is known as Schroeder’s paradox, which has a long history of controversy. To the best of our knowledge, kerogen swelling induced by a hydrocarbon in both gas and liquid states has not been investigated. We investigate the sorption of gaseous and liquid propane, normal butane, and normal pentane in kerogen and kerogen swelling at various pressures. A flexible kerogen matrix is created using molecular dynamics simulations. The large pores are created and maintained with a dummy particle and nailed atoms, respectively. The hydrocarbon sorption and kerogen swelling induced by the sorption of hydrocarbon gases and liquids are investigated by the hybrid molecular dynamics-grand canonical Monte Carlo simulations. Results show that smaller hydrocarbon molecules in both gas and liquid states have higher sorption and induce higher swelling and structural changes in the kerogen matrix. Hydrocarbon liquids have higher sorption and induce higher kerogen swelling than the corresponding gases at saturation pressure in agreement with Schroeder’s paradox. Hydrocarbon gases lead to the moderate kerogen swelling from expansion of large pores; hydrocarbon liquids swell the kerogen more significantly not only by expanding the large pore but also by creating new pores and throats. Liquid-inducing kerogen swelling is accompanied by hydrocarbon dissolution in the kerogen matrix altering significantly the pore surface area, porosity, and pore size distribution. The work sets the stage for further studies considering the effect of production on shale volumetric strain.

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Section: Introductionmentioning

confidence: 99%

Kerogen Swelling in Light Hydrocarbon Gases and Liquids and Validity of Schroeder’s Paradox

Firoozabadi

2021

J. Phys. Chem. C

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“…Kerogen, the main organic structure in oil shale [2,[22][23][24], is usually described as a three-dimensional macromolecular substance [25]. Oil shale is a broad term, and the structure and composition of its kerogen can vary widely between deposits [26,27].…”

Section: Composition Of Shale Oilmentioning

confidence: 99%

Desulfurization, denitrogenation and deoxygenation of shale oil

Baird¹,

Oja²,

Rang³

2021

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Producing valuable transportation fuels from shale oil has long been a goal among the industries concerned, but to meet modern environmental regulations a significant upgrading is required involving removing heteroatoms from it. The quantity of sulfur, nitrogen and oxygen in shale oil is one of the major obstacles to its wider use. Unlike petroleum whose upgrading consists mainly in desulfurization, for shale oils denitrification and deoxygenation are also important. This review compiles and summarizes the extensive research that has been performed on removing sulfur, nitrogen and oxygen from shale oil. By far the most widely investigated method has been hydrotreatment, but the results of work done with other methods are also presented.

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“…Our interest in calibration transfer stems from the fact that our lab has developed multivariate models for predicting the properties of shale oil. 1,13 Shale oil is an unconventional liquid fuel that is produced by pyrolysis of the solid organic matter in oil shale (termed kerogen [14][15][16][17] ). The resulting shale oil is a complex mixture with a wide molecular weight distribution 18,19 and boiling point range 20,21 .…”

Section: 𝑛 ̅ = 𝑛 + 𝑖𝑘mentioning

confidence: 99%

Untitled

2017

Preprint

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Transferring a multivariate model between infrared spectrometers is a significant challenge, and current methods often require the creation of costly standard samples to ensure sufficient accuracy. A good solution would be to first convert the measured spectra to k spectra (also called extinction coefficient spectra, imaginary refractive index spectra or absolute absorbance spectra). Unlike an absorption or transmission spectrum, which depends on the spectrometer used, the k spectrum is a property of the material, and this would make it an ideal standardized form for infrared spectra. In theory, this would allow models based on k spectra to be directly used for k spectra from other spectrometers.The feasibility of this idea was tested by calculating and comparing the k spectra from two different spectrometers for pure compounds and shale oil samples. Although deviations between spectra from the two spectrometers were reduced, significant differences still remained. Further analysis indicated that the likely cause of these differences was misalignment in the optics of the spectrometers. Some amount of misalignment is common in spectrometers, and the current method for calculating k spectra does not directly account for this. Therefore, further research needs to be done to adequately correct for misalignment to obtain accurate k spectra.

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Application of DSC to study the promoting effect of a small amount of high donor number solvent on the solvent swelling of kerogen with non-covalent cross-links in non-polar solvents

Cited by 7 publications

References 21 publications

Kerogen Swelling in Light Hydrocarbon Gases and Liquids and Validity of Schroeder’s Paradox

Kerogen Swelling in Light Hydrocarbon Gases and Liquids and Validity of Schroeder’s Paradox

Desulfurization, denitrogenation and deoxygenation of shale oil

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