High resolution mass spectrometry in combination with distillation and SARA fractionation provides us an opportunity for in-depth understanding about the hydrotreating process at the molecular level. In this study, th...High resolution mass spectrometry in combination with distillation and SARA fractionation provides us an opportunity for in-depth understanding about the hydrotreating process at the molecular level. In this study, the atmospheric residue derived from Arabian heavy crude and its hydrotreated products were initially subjected to distillation and SARA fractionation. The saturates were characterized by GC FI/FD TOF MS. The aromatics and resins were characterized by APPI FT-ICR MS. Compositional changes of different compounds (paraffins, naphthenes, aromatic hydrocarbons, and heteroatomic compounds) contained in different distillates (vacuum gas oil, vacuum residue) were obtained. More detailed knowledge about the hydrotreating process was achieved.展开更多
A methodology for kinetic modeling of conversion processes is presented.The proposed approach allows to overcome the lack of molecular detail of the petroleum fractions and to simulate the reactions of the process by ...A methodology for kinetic modeling of conversion processes is presented.The proposed approach allows to overcome the lack of molecular detail of the petroleum fractions and to simulate the reactions of the process by means of a two-step procedure.In the first step,a synthetic mixture of molecules representing the feedstock is generated via a molecular reconstruction method,termed SR-REM molecular reconstruction.In the second step,a kinetic Monte Carlo method,termed stochastic simulation algorithm(SSA),is used to simulate the effect of the conversion reactions on the mixture of molecules.The resulting methodology is applied to the Athabasca vacuum residue hydrocracking.An adequate molecular representation of the vacuum residue is obtained using the SR-REM algorithm.The reaction simulations present a good agreement with the laboratory data for Athabasca vacuum residue conversion.In addition,the proposed methodology provides the molecular detail of the vacuum residue conversion throughout the reactions simulations.展开更多
基金supported by the National Basic Research Program of China (2010CB226901)
文摘High resolution mass spectrometry in combination with distillation and SARA fractionation provides us an opportunity for in-depth understanding about the hydrotreating process at the molecular level. In this study, the atmospheric residue derived from Arabian heavy crude and its hydrotreated products were initially subjected to distillation and SARA fractionation. The saturates were characterized by GC FI/FD TOF MS. The aromatics and resins were characterized by APPI FT-ICR MS. Compositional changes of different compounds (paraffins, naphthenes, aromatic hydrocarbons, and heteroatomic compounds) contained in different distillates (vacuum gas oil, vacuum residue) were obtained. More detailed knowledge about the hydrotreating process was achieved.
文摘A methodology for kinetic modeling of conversion processes is presented.The proposed approach allows to overcome the lack of molecular detail of the petroleum fractions and to simulate the reactions of the process by means of a two-step procedure.In the first step,a synthetic mixture of molecules representing the feedstock is generated via a molecular reconstruction method,termed SR-REM molecular reconstruction.In the second step,a kinetic Monte Carlo method,termed stochastic simulation algorithm(SSA),is used to simulate the effect of the conversion reactions on the mixture of molecules.The resulting methodology is applied to the Athabasca vacuum residue hydrocracking.An adequate molecular representation of the vacuum residue is obtained using the SR-REM algorithm.The reaction simulations present a good agreement with the laboratory data for Athabasca vacuum residue conversion.In addition,the proposed methodology provides the molecular detail of the vacuum residue conversion throughout the reactions simulations.
