Molecular reconstruction: Recent progress toward composition modeling of petroleum fractions

Ren, Yukun; Liao, Zuwei; Sun, Jingyuan; Jiang, Binbo; Wang, Jingdai; Yang, Yongrong; Wu, Qing

doi:10.1016/j.cej.2018.09.083

Cited by 55 publications

(28 citation statements)

References 113 publications

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“…The S2 and N class plots show clear apparent differences between HFO and DAO. S2 class species with DBE (15 -25) in the carbon range of (72)(73)(74)(75)(76)(77)(78) are not present in DAO, while N class species with DBE (12)(13)(14)(15)(16)(17)(18)(19)(20)(21)(22) with carbon numbers (62)(63)(64)(65)(66)(67)(68)(69)(70) are also absent. This shows that the asphaltenes in HFO may possess more heteroatoms and have higher carbon numbers than the remaining portion of the fuel.…”

Section: Appi (+) Ft-icr/ms Resultsmentioning

confidence: 99%

“…Average molecular structures reported in the literature for fuels like vacuum residues [57], asphaltenes from wood tar [74], coal tar pitch [75], solvent refined coal [76] etc. have been developed manually due to ease and simplicity; however, complex automated methods exist [77,78], but they are not easily accessible. The surrogate molecules are assumed to be aromatic with alkyl side chains [16,32].…”

Section: Surrogate Moleculementioning

confidence: 99%

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Characterization of deasphalted heavy fuel oil using APPI (+) FT-ICR mass spectrometry and NMR spectroscopy

Jameel

Khateeb

Elbaz

et al. 2019

Fuel

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Section: Appi (+) Ft-icr/ms Resultsmentioning

confidence: 99%

Section: Surrogate Moleculementioning

confidence: 99%

Characterization of deasphalted heavy fuel oil using APPI (+) FT-ICR mass spectrometry and NMR spectroscopy

Jameel

Khateeb

Elbaz

et al. 2019

Fuel

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“…A review Ren and colleagues (2019) [31] of methods for converting individual composition into fractional composition and vice versa showed several approaches. Most of the approaches are formed on a multidimensional base for controlling several parameters besides composition, which implies a preparatory stage of model development.…”

Section: Introductionmentioning

confidence: 99%

Virtual Soft Sensor of the Feedstock Composition of the Catalytic Reforming Unit

Koteleva

Tkachev

2021

Symmetry

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The paper discusses a method for obtaining a matrix of individual and group composition of a hydrotreated heavy gasoline fraction in industrial conditions based on the fractional composition obtained by the distillation method according to the ASTM D86 (the Russian analogue of such a standard is GOST 2177). A method for bounds estimation of the retention index (RI) change is considered on the basis of the symmetry of the RI change range relative to its arithmetic mean. Implementation of this method is performed by simulation of individual composition of C6–C12 feedstock of the catalytic reforming unit in the software package. For this purpose, the boiling curve of individual composition of hydrocarbon mixture is converted into the corresponding curve of fractional composition. The presented technique of creating a virtual soft sensor makes it possible to establish a correct relationship between the fractional composition and the individual hydrocarbon composition obtained according to the IFP 9301 (GOST R 52714) (Russian GOST R 52714 and international IFP 9301 standards for the determination of individual and group composition of hydrocarbon mixtures by capillary gas chromatography). The virtual soft sensor is based on chemical and mathematical principles. The application of this technique on the data of a real oil refinery is shown. Obtaining accurate data by means of a virtual soft sensor on the individual composition of feedstock will make it possible to optimize the catalytic reforming process and thus indirectly improve its environmental friendliness and enrichment efficiency.

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“…To compete with other production routes, it is important to improve the efficiency of MTP. Other than the process optimization tools, optimizing the catalytic reaction process is more effective in improving the efficiency of MTP. Microporous crystalline aluminosilicates like ZSM‐5 zeolite are used in MTP conversions, owing to their shape selectivity and appropriate acidity.…”

Section: Introductionmentioning

confidence: 99%

Effects of space velocity on coking deactivation of HZSM‐5 in methanol to propylene

Qian

Wang

2019

Asia-Pacific J Chem Eng

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The catalytic behavior of ZSM-5 catalyst under different space velocities has been studied in methanol to propylene (MTP) reaction. The catalysts differed notably in deactivation behavior after the MTP conversion. This is ascribed to the difference in coke location, which was obtained via comparison of the difference in textural properties between the deactivated and regenerated catalysts and the thermogravimetric analysis of coke species. The catalyst deactivated in high space velocity showed a coke deposition on the outer surface of particle, whereas a coke distribution within the whole particle was observed for the catalyst deactivated in low space velocity. The diverging in coke location is arising from the different amount of CH provided by the methanol feeding in different space velocities, which resulted in the formation of different coke species.

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Molecular reconstruction: Recent progress toward composition modeling of petroleum fractions

Cited by 55 publications

References 113 publications

Characterization of deasphalted heavy fuel oil using APPI (+) FT-ICR mass spectrometry and NMR spectroscopy

Characterization of deasphalted heavy fuel oil using APPI (+) FT-ICR mass spectrometry and NMR spectroscopy

Virtual Soft Sensor of the Feedstock Composition of the Catalytic Reforming Unit

Effects of space velocity on coking deactivation of HZSM‐5 in methanol to propylene

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