In order to obtain liquefied products with higher yields of aromatic molecules to produce mesophase pitch,a good understanding of the relevant reaction mechanisms is required.Reactive molecular dynamics simulations we...In order to obtain liquefied products with higher yields of aromatic molecules to produce mesophase pitch,a good understanding of the relevant reaction mechanisms is required.Reactive molecular dynamics simulations were used to study the thermal reactions of pyrene,1-methylpyrene,7,8,9,10-tetrahydrobenzopyrene,and mixtures of pyrene with 1-octene,cyclohexene,or styrene.The reactant conversion rates,reaction rates,and product distributions were calculated and compared,and the mechanisms were analyzed and discussed.The results demonstrated that methyl and naphthenic structures in aromatics might improve the conversion rates of reactants in hydrogen transfer processes,but their steric hindrances prohibited the generation of high polymers.The naphthenic structures could generate more free radicals and presented a more obvious inhibition effect on the condensation of polymers compared with the methyl side chains.It was discovered that when different olefins were mixed with pyrene,1-octene primarily underwent pyrolysis reactions,whereas cyclohexene mainly underwent hydrogen transfer reactions with pyrene and styrene,mostly producing superconjugated biradicals through condensation reactions with pyrene.In the mixture systems,the olefins scattered aromatic molecules,hindering the formation of pyrene trimers and higher polymers.According to the reactive molecular dynamics simulations,styrene may enhance the yield of dimer and enable the controlled polycondensation of pyrene.展开更多
The separation of aromatics from aliphatics is essential for achieving maximum exploitation of oil resources in the petrochemical industry.In this study,a series of metal chloride-based ionic liquids were prepared and...The separation of aromatics from aliphatics is essential for achieving maximum exploitation of oil resources in the petrochemical industry.In this study,a series of metal chloride-based ionic liquids were prepared and their performances in the separation of 1,2,3,4-tetrahydronaphthalene(tetralin)/dodecane and tetralin/decalin systems were studied.Among these ionic liquids,1-ethyl-3-methylimidazolium tetrachloroferrate([EMIM][FeCl_(4)])with the highest selectivity was used as the extractant.Density functional theory calculations showed that[EMIM][FeCl_(4)]interacted more strongly with tetralin than with dodecane and decalin.Energy decomposition analysis of[EMIM][FeCl_(4)]-tetralin indicated that electrostatics and dispersion played essential roles,and induction cannot be neglected.The van der Waals forces was a main effect in[EMIM][FeCl_(4)]-tetralin by independent gradient model analysis.The tetralin distribution coefficient and selectivity were 0.8 and 110,respectively,with 10%(mol)tetralin in the initial tetralin/dodecane system,and 0.67 and 19.5,respectively,with 10%(mol)tetralin in the initial tetralin/decalin system.The selectivity increased with decreasing alkyl chain length of the extractant.The influence of the extraction temperature,extractant dosage,and initial concentrations of the system components on the separation performance were studied.Recycling experiments showed that the regenerated[EMIM][FeCl_(4)]could be used repeatedly.展开更多
The comprehensive characterization of heavy aromatic hydrocarbons in gasoline is important to optimize the blending process and understand the correlation between aromatics content and engine particulate emissions.How...The comprehensive characterization of heavy aromatic hydrocarbons in gasoline is important to optimize the blending process and understand the correlation between aromatics content and engine particulate emissions.However,most current analysis methods can only provide the composition of C_(8)/C_(8-) aromatics.In this study,a simple and fast gas chromatography-mass spectrometry(GC-MS)method to identify and quantify C_(9+)aromatics in gasoline was developed.A selected ion monitoring model was employed to eliminate interference from non-aromatic compounds in the detection of target compounds,as well as that between target compounds with different molecular formulas.The identification of C_(9+)aromatics was based on the retention time of model compounds,combined with characteristic mass fragment ions,boiling points,and retention indexes.Seventy-nine C_(9)–C_(12)aromatic compounds were quantified based on the calibration of representative model compounds,and the method demonstrated good linearity,and high accuracy and precision.Furthermore,the developed methodology was successfully applied to the analysis of gasoline fractions from the reforming,pyrolysis,straight-run,delayed coking,and catalytic cracking processes,as well as commercial gasolines.The results showed that C_(9)aromatics were the predominant aromatics in all gasoline samples,followed by C10 aromatics.Alkylbenzenes such as C_(9)H_(12)and C_(10)H_(14)were the main components in the reforming,straight-run,delayed coking,and catalytic cracking gasoline fractions,as well as in the commercial gasolines,in which 1,2,4-trimethylbenzene and 3-ethyltoluene were dominant;in contrast,aromatics with higher degrees of unsaturation such as indene were the most abundant aromatics in the pyrolysis gasoline fraction.展开更多
This study aims to analyze the influence of the polycyclic aromatic hydrocarbon(PAH)content in diesel on the physical and chemical properties of diesel soot particles.Four diesel fuels with different PAH content were ...This study aims to analyze the influence of the polycyclic aromatic hydrocarbon(PAH)content in diesel on the physical and chemical properties of diesel soot particles.Four diesel fuels with different PAH content were tested on a 11.6 L direct-injection diesel engine.The raw particulate matter(PM)before the after-treatment devices was collected using the thermophoresis sampling system and the filter sampling system.A transmission electron microscope and Raman spectrometer are used to analyze the physical properties of the soot particles,including morphology,primary particle size distribution,and graphitization degree.A Fourier transform infrared spectrometer and thermogravimetric analyzer are used to characterize the surface chemical composition and oxidation reactivity of soot particles,respectively.The results show that as the PAH content in the fuel decreases,the size of the primary soot particles decreases from 29.58 to 26.70 nm.The graphitization degree of soot particles first increases and then decreases,and the relative content of the aliphatic hydrocarbon functional groups of soot particles first decreases and then increases.The T_(10),T_(50),and T_(90) of soot from high-PAH fuel are 505.3,589.3,and 623.5℃,while those from low-PAH fuel are 480.1,557.5,and 599.2℃,respectively.This indicates that exhaust PM generated by the low-PAH fuel has poor oxidation reactivity.However,as the PAH content in fuel is further decreased,the excessively high cetane number may cause uneven mixing and incomplete combustion,leading to enhanced oxidation reactivity.展开更多
Several studies have proven a strong correlation between global warming and CO_(2)emissions.Annually,38 billion tons of CO_(2)are approximately emitted into the atmosphere.Utilizing CO_(2)via chemical conversion to cl...Several studies have proven a strong correlation between global warming and CO_(2)emissions.Annually,38 billion tons of CO_(2)are approximately emitted into the atmosphere.Utilizing CO_(2)via chemical conversion to clean fuels and value-added aromatics can substantially contribute to controlling the problem.Considering the thermodynamic and environmental limitations of hydrogenation of CO_(2)alone to value-added aromatics and fuels,CO_(2)utilization has currently emerged as a promising and practical approach for the production of fuels and aromatics with simultaneous utilization of both CO and CO_(2)wastes.As such,the approach is economically preferable.CO_(2)could be converted directly to fuels by the hydrogenation process or as a part of a syngas mixture.Dimethyl ether(DME)is a clean fuel with a higher energy density,which could be used as a substituent for several fuels such as diesel.In the same vein,value-added aromatics such as benzene,toluene,and xylene(BTX)can be produced from a similar process.Herein,we report a review that collects the most recent studies for the conversion of CO_(2)to DME and aromatics via zeolite-based bifunctional catalysts.We highlighted the main routes for producing DME and aromatics,as well as thoroughly discussed the conducted studies on CO_(2)hydrogenation and CO_(2)-rich syngas utilized as feedstock for conversion to DME and aromatics.The CO_(2)hydrogenation mostly occurs through the methanol-mediated reaction route but is most often limited by low selectivity and catalyst deactivation,particularly in the utilization of CO_(2)alone for the reduction reaction.The review takes an overview of the progress made so far and concluded by identifying the roles and challenges of zeolite-based catalysts for CO_(2)utilization and conversion to DME and aromatics.Accordingly,despite the incredible growth the field received in the last couple of years,however,many research challenges and opportunities associated with this process are still abounded and required to be addressed.Special attention is required for the development of approaches to block diffusion of H2O through zeolite to suppress the excess formation of CO_(2)in CO_(2)-rich syngas hydrogenation to DME and aromatics,exceed the product distribution limits,and suppress catalysts deactivation.展开更多
Direct conversion of syngas to aromatics has great potential to decrease fossil fuel dependence.Here,a unique structured hybrid catalyst composed of Fe_(3)O_(4) nanoparticles intimately dispersed inside an acidic zeol...Direct conversion of syngas to aromatics has great potential to decrease fossil fuel dependence.Here,a unique structured hybrid catalyst composed of Fe_(3)O_(4) nanoparticles intimately dispersed inside an acidic zeolite is developed.1 to 4 nm sized Fe_(3)O_(4) nanoparticles end up evenly dispersed in an acidic and slightly mesoporous Al-ZSM-5 based on Fe_(3)O_(4) restructuring during co-hydro thermal synthesis using organosilane modification.A very high aromatic productivity of 214 mmolaromatics h^(-1) gFe^(-1) can be obtained with a remarkable 62%aromatic selectivity in hydrocarbons.This catalyst has excellent sintering resistance ability and maintains stable aromatics production over 570 h.The synthetic insights that postulate a mechanism for the metastable oxide-zeolite reorganization during hydrothermal synthesis could serve as a generic route to sinter-resistant oxide-zeolite composite materials with uniform,well-dispersed oxide nanoparticles in close intimacy with-and partially confined in-a zeolite matrix.展开更多
Direct conversion of syngas to aromatics(STA)over oxide-zeolite composite catalysts is promising as an alternative method for aromatics production.However,the structural effect of the oxide component in composite cata...Direct conversion of syngas to aromatics(STA)over oxide-zeolite composite catalysts is promising as an alternative method for aromatics production.However,the structural effect of the oxide component in composite catalysts is still ambiguous.Herein,we investigate the size effect by selecting ZnCr_(2)O_(4)spinel,as a probe oxide,mixing with H-ZSM-5 zeolite as a composite catalyst for STA reaction.The CO conversion,aromatics selectivity and space-time yield(STY)of aromatics are all significantly improved with the crystal size of ZnCr_(2)O_(4)oxide decreases,which can mainly attribute to the higher oxygen vacancy concentration and thus the rapid generation of more C1oxygenated intermediate species.Based on the understanding of the size-performance relationship,ZnCr_(2)O_(4)-400 with a smaller size mixing with H-ZSM-5 can achieve32.6%CO conversion with 76%aromatics selectivity.The STY of aromatics reaches as high as 4.79 mmol g_(cat)^(-1)h^(-1),which outperforms the previously reported some typical catalysts.This study elucidates the importance of regulating the size of oxide to design more efficient oxidezeolite composite catalysts for conversion of syngas to value-added chemicals.展开更多
The stable carbon isotope compositions (δ13C) of individual aromatic hydrocarbons have been analyzed in sulfur-rich and sulfur-lean crude oils from the Huanghekou Depression, Bohai Bay Basin. The δ13C values of indi...The stable carbon isotope compositions (δ13C) of individual aromatic hydrocarbons have been analyzed in sulfur-rich and sulfur-lean crude oils from the Huanghekou Depression, Bohai Bay Basin. The δ13C values of individual aromatic hydrocarbons, including alkylbenzenes, alkylnaphthalenes, alkylphenanthrenes, alkylfluorenes and alkyldibenzothiophenes, are reported. The main aims are to find out the origin of these oils and their relationship to paleoclimate. The distribution of aromatic hydrocarbons and maturity parameters show the oils all stay in the low-mature to mature stage. Meanwhile, aromatic hydrocarbons are mainly derived from the diagenetic/catagenetic origin. The δ13C values for 1,2,4-trimethylbenzene (−30.7‰ to −28.8‰) and 1,2,3,4-tetramethylbenzene (−32.4‰ to −26.3‰) indicate the algae-derived organic matter for alkylbenzenes. Some isomers, such as 1,7-+1,3-+1,6-dimethylnaphthalene, 1,2,5-trimethylnaphthalene, 1,2,5,6-+1,2,3,5-tetramethylnaphthalene, 1,10-+1,3-+3,10-+3,9-dimethylphenanthrenes, 1,6-+2,9-+2,5-dimethylphenanthrenes and 4,9-+4,10-+1,9- dimethylphenanthrenes show isotopic depletion (−34.9‰ to −25.2‰), indicating the major contribution of algae for these compounds. Meanwhile, isotopically depleted (−33.6‰ to −26.7‰) alkyldibenzothiophenes represent the algae input. δ13C values for mainly algae-derived naphthalene to trimethylnaphthalenes of sulfur-rich oils are more enriched than those of sulfur-lean oil, with the most significant difference of 4.4‰, indicating that the aridity of the environment and stratified water column result in the enrichment in 13C.展开更多
To obtain high yields of monocyclic aromatic hydrocarbons with methyl side chains,such as toluene and xylene,methane(CH_(4))can be introduced into the hydrocracking of polycyclic aromatic hydrocarbons.CH_(4)can partic...To obtain high yields of monocyclic aromatic hydrocarbons with methyl side chains,such as toluene and xylene,methane(CH_(4))can be introduced into the hydrocracking of polycyclic aromatic hydrocarbons.CH_(4)can participate in the reaction,supply methyl side chains to the product,and improve product distribution.In this study,the hydrogenation reaction of polycyclic aromatic hydrocarbons over a carbonized NiMo/Hβcatalyst in a CH_(4)and hydrogen(H_(2))environment was investigated to study the promotional effect of CH_(4)on the hydrocracking of polycyclic aromatics.Under conditions of 3.5 MPa,380℃,volume air velocity of 4 h^(-1),gas-oil volume ratio of 800,and H_(2):CH_(4)molar ratio of 1:1,the conversion rate of naphthalene was 99.97%,the liquid phase yield was 93.62%,and the selectivity of BTX were 17.76%,25.17%,and 20.47%,respectively.In comparison to the use of a H_(2)atmosphere,the selectivity of benzene was significantly decreased,whereas the selectivity of toluene and xylene were increased.It was shown that CH_(4)can participate in the hydrocracking of naphthalene and improve the selectivity of toluene and xylene in the liquid product.The carbonized NiMo/Hβcatalyst was characterized by a range of analytical methods(such as X-ray diffraction(XRD),ammonia-temperature-programmed desorption(NH3-TPD),hydrogen-temperature-programmed reduction(H_(2)-TPR),and X-ray photoelectron spectroscopy(XPS)).The results indicated that Ni and Mo carbides were the major species in the carbonized NiMo/Hβcatalyst and were considered to be active sites for the activation of CH_(4)and H_(2).After loading the metal components,the catalyst displayed prominent weak acidic sites,which may be suitable locations for cracking,alkylation,and other related reactions.Therefore,the carbonized NiMo/Hβcatalyst displayed multiple functions during the hydrocracking of polycyclic aromatic hydrocarbons in a CH_(4)and H_(2)environment.These results could be used to develop a new way to efficiently utilize polycyclic aromatic hydrocarbons and natural gas resources.展开更多
Metal-modified H-ZSM-5 has a high selectivity of aromatics in methanol to aromatics(MTA)reaction,which is often attributed to the metal promoting the aromatization of intermediate olefins.However,the effect of methano...Metal-modified H-ZSM-5 has a high selectivity of aromatics in methanol to aromatics(MTA)reaction,which is often attributed to the metal promoting the aromatization of intermediate olefins.However,the effect of methanol dehydrogenation on aromatics formation over these catalysts is rarely studied.Here,we report that HCHO,which is formed by methanol dehydrogenation over Zn/H-ZSM-5 prepared by Zn impregnation,can participate in the synthesis of aromatics.Methanol conversion can produce more aromatics than olefins(propylene or ethylene)conversion over Zn/H-ZSM-5,indicating the conventional MTA pathway including methanol-to-olefins and olefins-to-aromatics is not complete.Moreover,an MTA mechanism including the conventional pathway and the methanol and HCHO coupling pathway is systematically proposed.展开更多
A facile approach was developed for the preparation of nano-sized HZSM-5 with a hierarchical mesoporous structure by adding imidazole into conventional zeolite synthesis precursor solution. The physicochemical propert...A facile approach was developed for the preparation of nano-sized HZSM-5 with a hierarchical mesoporous structure by adding imidazole into conventional zeolite synthesis precursor solution. The physicochemical properties of modified HZSM-5 were characterized by X-ray diffraction(XRD), N_2 adsorption–desorption isotherms, scanning electron microscopy(SEM), NH_3-temperature-programmed desorption(NH_3-TPD) and pyridine adsorption infrared spectroscopy(Py-IR). The coke in spent catalysts was characterized by thermogravimetry(TG). The results showed that hierarchical HZSM-5 zeolites with excellent textural properties, such as abundant porous structure, uniform particle size and suitable acidity, could be synthesized by the recipe of one-pot synthesis routes. Moreover, the obtained HZSM-5 exhibited higher selectivity of total aromatics as well as longer lifetime in the catalytic conversion of methanol to aromatics, comparing with conventional HZSM-5. It is expected that the synthesis approach demonstrated here will be applicable to other zeolites with particular textural properties and controllable particle sizes, facilitating the emergence of new-type porous materials and their related applications in catalysis and separation.展开更多
Realizing high CO conversion and high aromatics selectivity simultaneously in syngas-to-aromatics(STA)reaction is still challenging.Herein,we report a 57.5%CO conversion along with 74%aromatics selectivity over a comp...Realizing high CO conversion and high aromatics selectivity simultaneously in syngas-to-aromatics(STA)reaction is still challenging.Herein,we report a 57.5%CO conversion along with 74%aromatics selectivity over a composite catalyst consisting of Fe/ZnCr_(2)O_(4)(Fe modified ZnCr_(2)O_(4)spinel)oxide and H-ZSM-5 zeolite.Impregnation of only 3 wt%of Fe onto ZnCr_(2)O_(4)can remarkably increase CO conversion without sacrificing the aromatics selectivity.Oxygen vacancy concentration is improved after impregnating Fe.The highly dispersed iron carbide species is formed during the reaction over Fe/ZnCr_(2)O_(4)spinel oxide.The synergistic effect of oxygen vacancy and iron carbide results in a rapid formation of abundant oxygenated intermediate species,which can be continuously transformed to aromatics in H-ZSM-5.This study provides a new insight into the design of highly efficient catalyst for syngas conversion.展开更多
Soluble portions(SPs) 1-4(SP1-SP4) were afforded from sequentially dissolution and alkanolyses of Baiyinhua lignite(BL) in cyclohexane,CH3OH,CH3CH2OH,and(CH3)2CHOH at 300℃.They were analyzed with a gas chromatograph/...Soluble portions(SPs) 1-4(SP1-SP4) were afforded from sequentially dissolution and alkanolyses of Baiyinhua lignite(BL) in cyclohexane,CH3OH,CH3CH2OH,and(CH3)2CHOH at 300℃.They were analyzed with a gas chromatograph/mass spectrometer and quadrupole exactive orbitrap mass spectrometer(QEOTMS) with an atmosphere pressure chemical ionization source in positive-ion mode,while BL was characterized with an X-ray photoelectron spectrometer(XRPES).The results show that the yields of SP2 and SP3 are much higher than those of SP1 and SP4,and the total SP yield is ca.39.0%.According to the analysis with XRPES,pyrrolic nitrogen atoms are the most abundant nitrogen existing forms in BL.Thousands of nitrogen-containing aromatics(NCAs) were resolved with QEOTMS and their molecular masses are mainly in the range of 200-450 u.The main NCAs are N1O1 and N1O2 class species with double bond equivalent values of 4-18 and carbon numbers of 7-30.The nitrogen atoms appear in pyridine s,quinolines,benzoquinolines or acridine,and dibenzoquinolines or naphthoquinolines,while the oxygen atoms exist in methoxy and furan rings.展开更多
Conversion of LCO(light cycle oil)to BTX(benzene,toluene,and xylene)is an economically valuable method for refineries.However,this approach still faces difficulties as the main reactions are not clearly understood.Her...Conversion of LCO(light cycle oil)to BTX(benzene,toluene,and xylene)is an economically valuable method for refineries.However,this approach still faces difficulties as the main reactions are not clearly understood.Here we study the detailed hydrocracking pathway of typical reactants,1-methylnaphthalene and tetralin,through molecular simulations and experiments to improve our understanding of the conversion process of LCO to BTX.Molecular simulations demonstrate that the rate-determining step is the isomerization pathway of six-membered ring to five-membered ring in tetralin as its activation energy(ΔEa)is the highest among all the reactions and the order ofΔEa of reactions is isomerization>ring-opening≈side-chain cleavage.The results of experiments show that with the increase in reaction depth,i.e.,through a high temperature(350-370℃)and low LHSV(4.5-6.0 h^(−1)),isomerization,ring-opening,and side-chain cleavage reactions occurred,thus improving the selectivity and yield of alkyl aromatics.展开更多
Aromatics are traditionally produced by the catalytic reforming of naphtha.However,with the demand of aromatics increasing and the reserves of petroleum resources declining,measures should be made to reduce the depend...Aromatics are traditionally produced by the catalytic reforming of naphtha.However,with the demand of aromatics increasing and the reserves of petroleum resources declining,measures should be made to reduce the dependence of aromatics production on petroleum resources.Methanol-to-aromatics is proved to be an effective way to replace traditional naphtha-to-aromatics path.In order to compare the economic and environmental performance of aromatics production from naphtha and methanol,this paper carries out an emergy evaluation for each system by sorting out the simulation and literature data.Based on the emergy data collected,the emergy indices of each system are calculated.The results show that the sustainabilities of methanol-to-aromatics systems are higher than that of the naphtha-toaromatics system,indicating the advantages of aromatics production from methanol.Among the methanol-to-aromatics systems,the aromatics from biomass-methanol system has the highest sustainability,indicating that the biomass based methanol-to-aromatics system is worth promoting.The sustainability indexes of methanol-to-aromatics systems based on coal and coke oven gas are less than 1,which means unsustainable.Meanwhile,the sustainability of natural gas based system is slightly higher than 1.The economic and environmental benefits of these systems can be optimized by improving resource utilization and reducing investment costs.Furthermore,the combination of different raw materials for methanol production should be considered.展开更多
Catalyst containing shape selective zeolite is used to investigate the catalytic cracking characteristics of palm oil and three types of hydrocarbon VGOs on a fixed fluidized bed(FFB) unit. The advantage of producing ...Catalyst containing shape selective zeolite is used to investigate the catalytic cracking characteristics of palm oil and three types of hydrocarbon VGOs on a fixed fluidized bed(FFB) unit. The advantage of producing light olefins and light aromatics by catalytic cracking of plant oil is discussed. Results indicate that the hydrocarbyl group of the plant oil molecule is quite readily crackable; the C_6—C_8 aromatics yield is well above and the light olefins yield is about the same with the hydrocarbon feeds, while the yields of low value products are lower; the hydrocarbyl group of the plant oil molecule has strong tendency of aromatization, and can enter the zeolite pores to selectively form C_6—C_8 aromatics; during catalytic cracking of plant oil and fatty acids, a portion of the oxygen is removed in the form of water through hydrogen transfer reaction, while olefins are prevented from being saturated, which can ensure proper yields of both low-carbon olefins and light aromatics.展开更多
A promising sulfated zirconia(SZ) was successfully synthesized to remove olefins from aromatics. The effects of type and quantity of precipitant, the concentration of impregnants and the calcination temperature were s...A promising sulfated zirconia(SZ) was successfully synthesized to remove olefins from aromatics. The effects of type and quantity of precipitant, the concentration of impregnants and the calcination temperature were studied, and the synthesized samples were characterized by XRD, SEM, TG-DTG, FTIR, N_2 adsorption analysis and the FTIR pyridine adsorption(py-IR) techniques. This catalyst was found to be superiorly active as compared with the commercial ROC, which exhibited promising application prospects in industry. The optimum synthesis variables required that SZ was impregnated with 2.0 mol/L sulfuric acid and calcined at 650 ℃, and the precursor was precipitated by ammonium hydroxide to reach eventually a p H value of over 9.46. The addition of SO_4^(2-) species increased the amount of catalytically active t-ZrO_2, which was helpful to an increasing abundance of acid sites for enhancing the activity. Meanwhile, the calcination temperature had a great effect on the structure, composition and properties of sulfated zirconia.展开更多
Reactor models were developed to describe the isomerization reaction process of C_(8) aromatics by applying a six-component sequential reaction network.Lab-scale experimental data were used in an axial bed reactor mod...Reactor models were developed to describe the isomerization reaction process of C_(8) aromatics by applying a six-component sequential reaction network.Lab-scale experimental data were used in an axial bed reactor model,and dynamic parameters were fitted by simulated annealing algorithm.In addition,industrial data and calculated dynamic parameters were used to determine the six-component concentration distributions using a radial reactor model.The influence of back-mixing on reaction performance was investigated.It was found that the model considering back-mixing was much closer to the real industrial reaction process.展开更多
Over the years the team headed by Li Can at the CAS Dalian Institute of Chemical Physics (DICP) has been engaging in study on conversion of carbon dioxide. Hydrogen as a clean energy can be used to convert CO2 to liqu...Over the years the team headed by Li Can at the CAS Dalian Institute of Chemical Physics (DICP) has been engaging in study on conversion of carbon dioxide. Hydrogen as a clean energy can be used to convert CO2 to liquid fuel and chemicals, which is an important strategy to achieve reduction of CO2 emissions and sustainable utilization of carbon source.展开更多
On November 29,2013 the Shaanxi Coal Chemicals Technology Engineering Center,Ltd.(SCCTEC),the CNOOC Huizhou Refining and Chemical Company and the SINOPEC Luoyang Engineering Company,Ltd.signed an agreement on cooperat...On November 29,2013 the Shaanxi Coal Chemicals Technology Engineering Center,Ltd.(SCCTEC),the CNOOC Huizhou Refining and Chemical Company and the SINOPEC Luoyang Engineering Company,Ltd.signed an agreement on cooperation in development of展开更多
基金financially supported by the National Natural Science Foundation of China(Approval No.42172168).
文摘In order to obtain liquefied products with higher yields of aromatic molecules to produce mesophase pitch,a good understanding of the relevant reaction mechanisms is required.Reactive molecular dynamics simulations were used to study the thermal reactions of pyrene,1-methylpyrene,7,8,9,10-tetrahydrobenzopyrene,and mixtures of pyrene with 1-octene,cyclohexene,or styrene.The reactant conversion rates,reaction rates,and product distributions were calculated and compared,and the mechanisms were analyzed and discussed.The results demonstrated that methyl and naphthenic structures in aromatics might improve the conversion rates of reactants in hydrogen transfer processes,but their steric hindrances prohibited the generation of high polymers.The naphthenic structures could generate more free radicals and presented a more obvious inhibition effect on the condensation of polymers compared with the methyl side chains.It was discovered that when different olefins were mixed with pyrene,1-octene primarily underwent pyrolysis reactions,whereas cyclohexene mainly underwent hydrogen transfer reactions with pyrene and styrene,mostly producing superconjugated biradicals through condensation reactions with pyrene.In the mixture systems,the olefins scattered aromatic molecules,hindering the formation of pyrene trimers and higher polymers.According to the reactive molecular dynamics simulations,styrene may enhance the yield of dimer and enable the controlled polycondensation of pyrene.
基金supported by the National Natural Science Foundation of China(22125802,22078010).
文摘The separation of aromatics from aliphatics is essential for achieving maximum exploitation of oil resources in the petrochemical industry.In this study,a series of metal chloride-based ionic liquids were prepared and their performances in the separation of 1,2,3,4-tetrahydronaphthalene(tetralin)/dodecane and tetralin/decalin systems were studied.Among these ionic liquids,1-ethyl-3-methylimidazolium tetrachloroferrate([EMIM][FeCl_(4)])with the highest selectivity was used as the extractant.Density functional theory calculations showed that[EMIM][FeCl_(4)]interacted more strongly with tetralin than with dodecane and decalin.Energy decomposition analysis of[EMIM][FeCl_(4)]-tetralin indicated that electrostatics and dispersion played essential roles,and induction cannot be neglected.The van der Waals forces was a main effect in[EMIM][FeCl_(4)]-tetralin by independent gradient model analysis.The tetralin distribution coefficient and selectivity were 0.8 and 110,respectively,with 10%(mol)tetralin in the initial tetralin/dodecane system,and 0.67 and 19.5,respectively,with 10%(mol)tetralin in the initial tetralin/decalin system.The selectivity increased with decreasing alkyl chain length of the extractant.The influence of the extraction temperature,extractant dosage,and initial concentrations of the system components on the separation performance were studied.Recycling experiments showed that the regenerated[EMIM][FeCl_(4)]could be used repeatedly.
基金This work was supported by the research project of Sinopec Research Institute of Petroleum Processing Co.,Ltd.(G720007).
文摘The comprehensive characterization of heavy aromatic hydrocarbons in gasoline is important to optimize the blending process and understand the correlation between aromatics content and engine particulate emissions.However,most current analysis methods can only provide the composition of C_(8)/C_(8-) aromatics.In this study,a simple and fast gas chromatography-mass spectrometry(GC-MS)method to identify and quantify C_(9+)aromatics in gasoline was developed.A selected ion monitoring model was employed to eliminate interference from non-aromatic compounds in the detection of target compounds,as well as that between target compounds with different molecular formulas.The identification of C_(9+)aromatics was based on the retention time of model compounds,combined with characteristic mass fragment ions,boiling points,and retention indexes.Seventy-nine C_(9)–C_(12)aromatic compounds were quantified based on the calibration of representative model compounds,and the method demonstrated good linearity,and high accuracy and precision.Furthermore,the developed methodology was successfully applied to the analysis of gasoline fractions from the reforming,pyrolysis,straight-run,delayed coking,and catalytic cracking processes,as well as commercial gasolines.The results showed that C_(9)aromatics were the predominant aromatics in all gasoline samples,followed by C10 aromatics.Alkylbenzenes such as C_(9)H_(12)and C_(10)H_(14)were the main components in the reforming,straight-run,delayed coking,and catalytic cracking gasoline fractions,as well as in the commercial gasolines,in which 1,2,4-trimethylbenzene and 3-ethyltoluene were dominant;in contrast,aromatics with higher degrees of unsaturation such as indene were the most abundant aromatics in the pyrolysis gasoline fraction.
基金National Key Research and Development Program of China(2017YFB0306605)Key Laboratory of Engines at Tianjin University(Grant No.K2022-06).
文摘This study aims to analyze the influence of the polycyclic aromatic hydrocarbon(PAH)content in diesel on the physical and chemical properties of diesel soot particles.Four diesel fuels with different PAH content were tested on a 11.6 L direct-injection diesel engine.The raw particulate matter(PM)before the after-treatment devices was collected using the thermophoresis sampling system and the filter sampling system.A transmission electron microscope and Raman spectrometer are used to analyze the physical properties of the soot particles,including morphology,primary particle size distribution,and graphitization degree.A Fourier transform infrared spectrometer and thermogravimetric analyzer are used to characterize the surface chemical composition and oxidation reactivity of soot particles,respectively.The results show that as the PAH content in the fuel decreases,the size of the primary soot particles decreases from 29.58 to 26.70 nm.The graphitization degree of soot particles first increases and then decreases,and the relative content of the aliphatic hydrocarbon functional groups of soot particles first decreases and then increases.The T_(10),T_(50),and T_(90) of soot from high-PAH fuel are 505.3,589.3,and 623.5℃,while those from low-PAH fuel are 480.1,557.5,and 599.2℃,respectively.This indicates that exhaust PM generated by the low-PAH fuel has poor oxidation reactivity.However,as the PAH content in fuel is further decreased,the excessively high cetane number may cause uneven mixing and incomplete combustion,leading to enhanced oxidation reactivity.
基金the support provided by the Interdisciplinary Research Center for Hydrogen and Energy Storage(IRC-HES)。
文摘Several studies have proven a strong correlation between global warming and CO_(2)emissions.Annually,38 billion tons of CO_(2)are approximately emitted into the atmosphere.Utilizing CO_(2)via chemical conversion to clean fuels and value-added aromatics can substantially contribute to controlling the problem.Considering the thermodynamic and environmental limitations of hydrogenation of CO_(2)alone to value-added aromatics and fuels,CO_(2)utilization has currently emerged as a promising and practical approach for the production of fuels and aromatics with simultaneous utilization of both CO and CO_(2)wastes.As such,the approach is economically preferable.CO_(2)could be converted directly to fuels by the hydrogenation process or as a part of a syngas mixture.Dimethyl ether(DME)is a clean fuel with a higher energy density,which could be used as a substituent for several fuels such as diesel.In the same vein,value-added aromatics such as benzene,toluene,and xylene(BTX)can be produced from a similar process.Herein,we report a review that collects the most recent studies for the conversion of CO_(2)to DME and aromatics via zeolite-based bifunctional catalysts.We highlighted the main routes for producing DME and aromatics,as well as thoroughly discussed the conducted studies on CO_(2)hydrogenation and CO_(2)-rich syngas utilized as feedstock for conversion to DME and aromatics.The CO_(2)hydrogenation mostly occurs through the methanol-mediated reaction route but is most often limited by low selectivity and catalyst deactivation,particularly in the utilization of CO_(2)alone for the reduction reaction.The review takes an overview of the progress made so far and concluded by identifying the roles and challenges of zeolite-based catalysts for CO_(2)utilization and conversion to DME and aromatics.Accordingly,despite the incredible growth the field received in the last couple of years,however,many research challenges and opportunities associated with this process are still abounded and required to be addressed.Special attention is required for the development of approaches to block diffusion of H2O through zeolite to suppress the excess formation of CO_(2)in CO_(2)-rich syngas hydrogenation to DME and aromatics,exceed the product distribution limits,and suppress catalysts deactivation.
基金supported financially by the National Natural Science Foundation of China(51776206)the Local Innovative and Research Teams Project of Guangdong Pearl River Talents Program(2017BT01N092)+4 种基金the National Key R&D Program of China(2018YFB1501504)the Postgraduate Research&Practice Innovation Program of Jiangsu Province(KYCX20_0095)the Fundamental Research Funds for the Central Universities(3203002104D)the Research Foundation-Flanders(FWO,grant 12E8617N)for funding and KU Leuven grant C14/20/086visiting scholar(2017-20202)at the Guangzhou Institute of Energy Conversion,Chinese Academy of Sciences。
文摘Direct conversion of syngas to aromatics has great potential to decrease fossil fuel dependence.Here,a unique structured hybrid catalyst composed of Fe_(3)O_(4) nanoparticles intimately dispersed inside an acidic zeolite is developed.1 to 4 nm sized Fe_(3)O_(4) nanoparticles end up evenly dispersed in an acidic and slightly mesoporous Al-ZSM-5 based on Fe_(3)O_(4) restructuring during co-hydro thermal synthesis using organosilane modification.A very high aromatic productivity of 214 mmolaromatics h^(-1) gFe^(-1) can be obtained with a remarkable 62%aromatic selectivity in hydrocarbons.This catalyst has excellent sintering resistance ability and maintains stable aromatics production over 570 h.The synthetic insights that postulate a mechanism for the metastable oxide-zeolite reorganization during hydrothermal synthesis could serve as a generic route to sinter-resistant oxide-zeolite composite materials with uniform,well-dispersed oxide nanoparticles in close intimacy with-and partially confined in-a zeolite matrix.
基金financial support from the National Natural Science Foundation of China(Grant No.21978285,21991093,21991090)the“Transformational Technologies for Clean Energy and Demonstration”,Strategic Priority Research Program of the Chinese Academy of Sciences(Grant No.XDA21030100)。
文摘Direct conversion of syngas to aromatics(STA)over oxide-zeolite composite catalysts is promising as an alternative method for aromatics production.However,the structural effect of the oxide component in composite catalysts is still ambiguous.Herein,we investigate the size effect by selecting ZnCr_(2)O_(4)spinel,as a probe oxide,mixing with H-ZSM-5 zeolite as a composite catalyst for STA reaction.The CO conversion,aromatics selectivity and space-time yield(STY)of aromatics are all significantly improved with the crystal size of ZnCr_(2)O_(4)oxide decreases,which can mainly attribute to the higher oxygen vacancy concentration and thus the rapid generation of more C1oxygenated intermediate species.Based on the understanding of the size-performance relationship,ZnCr_(2)O_(4)-400 with a smaller size mixing with H-ZSM-5 can achieve32.6%CO conversion with 76%aromatics selectivity.The STY of aromatics reaches as high as 4.79 mmol g_(cat)^(-1)h^(-1),which outperforms the previously reported some typical catalysts.This study elucidates the importance of regulating the size of oxide to design more efficient oxidezeolite composite catalysts for conversion of syngas to value-added chemicals.
基金supported by the National Natural Science Foundation of China(No.41872131).
文摘The stable carbon isotope compositions (δ13C) of individual aromatic hydrocarbons have been analyzed in sulfur-rich and sulfur-lean crude oils from the Huanghekou Depression, Bohai Bay Basin. The δ13C values of individual aromatic hydrocarbons, including alkylbenzenes, alkylnaphthalenes, alkylphenanthrenes, alkylfluorenes and alkyldibenzothiophenes, are reported. The main aims are to find out the origin of these oils and their relationship to paleoclimate. The distribution of aromatic hydrocarbons and maturity parameters show the oils all stay in the low-mature to mature stage. Meanwhile, aromatic hydrocarbons are mainly derived from the diagenetic/catagenetic origin. The δ13C values for 1,2,4-trimethylbenzene (−30.7‰ to −28.8‰) and 1,2,3,4-tetramethylbenzene (−32.4‰ to −26.3‰) indicate the algae-derived organic matter for alkylbenzenes. Some isomers, such as 1,7-+1,3-+1,6-dimethylnaphthalene, 1,2,5-trimethylnaphthalene, 1,2,5,6-+1,2,3,5-tetramethylnaphthalene, 1,10-+1,3-+3,10-+3,9-dimethylphenanthrenes, 1,6-+2,9-+2,5-dimethylphenanthrenes and 4,9-+4,10-+1,9- dimethylphenanthrenes show isotopic depletion (−34.9‰ to −25.2‰), indicating the major contribution of algae for these compounds. Meanwhile, isotopically depleted (−33.6‰ to −26.7‰) alkyldibenzothiophenes represent the algae input. δ13C values for mainly algae-derived naphthalene to trimethylnaphthalenes of sulfur-rich oils are more enriched than those of sulfur-lean oil, with the most significant difference of 4.4‰, indicating that the aridity of the environment and stratified water column result in the enrichment in 13C.
基金the financial support from the Graduate Student Innovation and Practical Ability Training Program of Xi’an Shiyou University (No. YCS21212111)Open Fund Project of the State Key Laboratory of Heavy Oil, China (SKLHOP201703)+3 种基金National Natural Science Foundation of China (No. 52274039)Natural Science Foundation of Shaanxi Provincial Department of Education (Grant 2023-JC-YB-414)Natural Science Foundation of Shaanxi Province in China (No. 2022JZ-28)the Open Fund Project of the National Oil Shale Exploitation Research and Development Center, China (No. 33550022-ZC0613-0255)
文摘To obtain high yields of monocyclic aromatic hydrocarbons with methyl side chains,such as toluene and xylene,methane(CH_(4))can be introduced into the hydrocracking of polycyclic aromatic hydrocarbons.CH_(4)can participate in the reaction,supply methyl side chains to the product,and improve product distribution.In this study,the hydrogenation reaction of polycyclic aromatic hydrocarbons over a carbonized NiMo/Hβcatalyst in a CH_(4)and hydrogen(H_(2))environment was investigated to study the promotional effect of CH_(4)on the hydrocracking of polycyclic aromatics.Under conditions of 3.5 MPa,380℃,volume air velocity of 4 h^(-1),gas-oil volume ratio of 800,and H_(2):CH_(4)molar ratio of 1:1,the conversion rate of naphthalene was 99.97%,the liquid phase yield was 93.62%,and the selectivity of BTX were 17.76%,25.17%,and 20.47%,respectively.In comparison to the use of a H_(2)atmosphere,the selectivity of benzene was significantly decreased,whereas the selectivity of toluene and xylene were increased.It was shown that CH_(4)can participate in the hydrocracking of naphthalene and improve the selectivity of toluene and xylene in the liquid product.The carbonized NiMo/Hβcatalyst was characterized by a range of analytical methods(such as X-ray diffraction(XRD),ammonia-temperature-programmed desorption(NH3-TPD),hydrogen-temperature-programmed reduction(H_(2)-TPR),and X-ray photoelectron spectroscopy(XPS)).The results indicated that Ni and Mo carbides were the major species in the carbonized NiMo/Hβcatalyst and were considered to be active sites for the activation of CH_(4)and H_(2).After loading the metal components,the catalyst displayed prominent weak acidic sites,which may be suitable locations for cracking,alkylation,and other related reactions.Therefore,the carbonized NiMo/Hβcatalyst displayed multiple functions during the hydrocracking of polycyclic aromatic hydrocarbons in a CH_(4)and H_(2)environment.These results could be used to develop a new way to efficiently utilize polycyclic aromatic hydrocarbons and natural gas resources.
基金the financial support from the National Natural Science Foundation of China(Grant No.21978285,21991093,21991090)the“Transformational Technologies for Clean Energy and Demonstration”,Strategic Priority Research Program of the Chinese Academy of Sciences(Grant No.XDA21030100)。
文摘Metal-modified H-ZSM-5 has a high selectivity of aromatics in methanol to aromatics(MTA)reaction,which is often attributed to the metal promoting the aromatization of intermediate olefins.However,the effect of methanol dehydrogenation on aromatics formation over these catalysts is rarely studied.Here,we report that HCHO,which is formed by methanol dehydrogenation over Zn/H-ZSM-5 prepared by Zn impregnation,can participate in the synthesis of aromatics.Methanol conversion can produce more aromatics than olefins(propylene or ethylene)conversion over Zn/H-ZSM-5,indicating the conventional MTA pathway including methanol-to-olefins and olefins-to-aromatics is not complete.Moreover,an MTA mechanism including the conventional pathway and the methanol and HCHO coupling pathway is systematically proposed.
基金the financial support of National Natural Science Foundation of China(NO.21536009)the National High Technology Research and Development Program of China(Grant No.2011AA05A2021)Science and Technology Innovation Planning Project of Shaanxi Province,China(NO.2012KTDZ0101-04)
文摘A facile approach was developed for the preparation of nano-sized HZSM-5 with a hierarchical mesoporous structure by adding imidazole into conventional zeolite synthesis precursor solution. The physicochemical properties of modified HZSM-5 were characterized by X-ray diffraction(XRD), N_2 adsorption–desorption isotherms, scanning electron microscopy(SEM), NH_3-temperature-programmed desorption(NH_3-TPD) and pyridine adsorption infrared spectroscopy(Py-IR). The coke in spent catalysts was characterized by thermogravimetry(TG). The results showed that hierarchical HZSM-5 zeolites with excellent textural properties, such as abundant porous structure, uniform particle size and suitable acidity, could be synthesized by the recipe of one-pot synthesis routes. Moreover, the obtained HZSM-5 exhibited higher selectivity of total aromatics as well as longer lifetime in the catalytic conversion of methanol to aromatics, comparing with conventional HZSM-5. It is expected that the synthesis approach demonstrated here will be applicable to other zeolites with particular textural properties and controllable particle sizes, facilitating the emergence of new-type porous materials and their related applications in catalysis and separation.
基金the financial support from the National Natural Science Foundation of China(Grant No.21978285,21991093,21991090),the‘‘Transformational Technologies for Clean Energy and Demonstration”the Strategic Priority Research Program of the Chinese Academy of Sciences(Grant No.XDA21030100)。
文摘Realizing high CO conversion and high aromatics selectivity simultaneously in syngas-to-aromatics(STA)reaction is still challenging.Herein,we report a 57.5%CO conversion along with 74%aromatics selectivity over a composite catalyst consisting of Fe/ZnCr_(2)O_(4)(Fe modified ZnCr_(2)O_(4)spinel)oxide and H-ZSM-5 zeolite.Impregnation of only 3 wt%of Fe onto ZnCr_(2)O_(4)can remarkably increase CO conversion without sacrificing the aromatics selectivity.Oxygen vacancy concentration is improved after impregnating Fe.The highly dispersed iron carbide species is formed during the reaction over Fe/ZnCr_(2)O_(4)spinel oxide.The synergistic effect of oxygen vacancy and iron carbide results in a rapid formation of abundant oxygenated intermediate species,which can be continuously transformed to aromatics in H-ZSM-5.This study provides a new insight into the design of highly efficient catalyst for syngas conversion.
基金Supported by the Key Project of Joint Fund from National Natural Science Foundation of China and the Government of Xinjiang Uygur Autonomous Region(U1503293)the National Key Research and Development Program of China(2018YFB0604602)the Priority Academic Program Development of Jiangsu Higher Education Institutions.
文摘Soluble portions(SPs) 1-4(SP1-SP4) were afforded from sequentially dissolution and alkanolyses of Baiyinhua lignite(BL) in cyclohexane,CH3OH,CH3CH2OH,and(CH3)2CHOH at 300℃.They were analyzed with a gas chromatograph/mass spectrometer and quadrupole exactive orbitrap mass spectrometer(QEOTMS) with an atmosphere pressure chemical ionization source in positive-ion mode,while BL was characterized with an X-ray photoelectron spectrometer(XRPES).The results show that the yields of SP2 and SP3 are much higher than those of SP1 and SP4,and the total SP yield is ca.39.0%.According to the analysis with XRPES,pyrrolic nitrogen atoms are the most abundant nitrogen existing forms in BL.Thousands of nitrogen-containing aromatics(NCAs) were resolved with QEOTMS and their molecular masses are mainly in the range of 200-450 u.The main NCAs are N1O1 and N1O2 class species with double bond equivalent values of 4-18 and carbon numbers of 7-30.The nitrogen atoms appear in pyridine s,quinolines,benzoquinolines or acridine,and dibenzoquinolines or naphthoquinolines,while the oxygen atoms exist in methoxy and furan rings.
基金This work was financially supported by the SINOPEC Science and technology Development Funds(No.12005-1)the Hydrogenation Process and Hydrogenation Catalyst Laboratory(RIPP,SINOPEC).
文摘Conversion of LCO(light cycle oil)to BTX(benzene,toluene,and xylene)is an economically valuable method for refineries.However,this approach still faces difficulties as the main reactions are not clearly understood.Here we study the detailed hydrocracking pathway of typical reactants,1-methylnaphthalene and tetralin,through molecular simulations and experiments to improve our understanding of the conversion process of LCO to BTX.Molecular simulations demonstrate that the rate-determining step is the isomerization pathway of six-membered ring to five-membered ring in tetralin as its activation energy(ΔEa)is the highest among all the reactions and the order ofΔEa of reactions is isomerization>ring-opening≈side-chain cleavage.The results of experiments show that with the increase in reaction depth,i.e.,through a high temperature(350-370℃)and low LHSV(4.5-6.0 h^(−1)),isomerization,ring-opening,and side-chain cleavage reactions occurred,thus improving the selectivity and yield of alkyl aromatics.
基金Financial support from Ministry of Science and Technology of China(2018YFB0604803)the National Natural Science Foundation of China(21736008)is gratefully acknowledged.
文摘Aromatics are traditionally produced by the catalytic reforming of naphtha.However,with the demand of aromatics increasing and the reserves of petroleum resources declining,measures should be made to reduce the dependence of aromatics production on petroleum resources.Methanol-to-aromatics is proved to be an effective way to replace traditional naphtha-to-aromatics path.In order to compare the economic and environmental performance of aromatics production from naphtha and methanol,this paper carries out an emergy evaluation for each system by sorting out the simulation and literature data.Based on the emergy data collected,the emergy indices of each system are calculated.The results show that the sustainabilities of methanol-to-aromatics systems are higher than that of the naphtha-toaromatics system,indicating the advantages of aromatics production from methanol.Among the methanol-to-aromatics systems,the aromatics from biomass-methanol system has the highest sustainability,indicating that the biomass based methanol-to-aromatics system is worth promoting.The sustainability indexes of methanol-to-aromatics systems based on coal and coke oven gas are less than 1,which means unsustainable.Meanwhile,the sustainability of natural gas based system is slightly higher than 1.The economic and environmental benefits of these systems can be optimized by improving resource utilization and reducing investment costs.Furthermore,the combination of different raw materials for methanol production should be considered.
基金financially supported by the SINOPEC Research and Development Project (Contact No. 115010)
文摘Catalyst containing shape selective zeolite is used to investigate the catalytic cracking characteristics of palm oil and three types of hydrocarbon VGOs on a fixed fluidized bed(FFB) unit. The advantage of producing light olefins and light aromatics by catalytic cracking of plant oil is discussed. Results indicate that the hydrocarbyl group of the plant oil molecule is quite readily crackable; the C_6—C_8 aromatics yield is well above and the light olefins yield is about the same with the hydrocarbon feeds, while the yields of low value products are lower; the hydrocarbyl group of the plant oil molecule has strong tendency of aromatization, and can enter the zeolite pores to selectively form C_6—C_8 aromatics; during catalytic cracking of plant oil and fatty acids, a portion of the oxygen is removed in the form of water through hydrogen transfer reaction, while olefins are prevented from being saturated, which can ensure proper yields of both low-carbon olefins and light aromatics.
文摘A promising sulfated zirconia(SZ) was successfully synthesized to remove olefins from aromatics. The effects of type and quantity of precipitant, the concentration of impregnants and the calcination temperature were studied, and the synthesized samples were characterized by XRD, SEM, TG-DTG, FTIR, N_2 adsorption analysis and the FTIR pyridine adsorption(py-IR) techniques. This catalyst was found to be superiorly active as compared with the commercial ROC, which exhibited promising application prospects in industry. The optimum synthesis variables required that SZ was impregnated with 2.0 mol/L sulfuric acid and calcined at 650 ℃, and the precursor was precipitated by ammonium hydroxide to reach eventually a p H value of over 9.46. The addition of SO_4^(2-) species increased the amount of catalytically active t-ZrO_2, which was helpful to an increasing abundance of acid sites for enhancing the activity. Meanwhile, the calcination temperature had a great effect on the structure, composition and properties of sulfated zirconia.
文摘Reactor models were developed to describe the isomerization reaction process of C_(8) aromatics by applying a six-component sequential reaction network.Lab-scale experimental data were used in an axial bed reactor model,and dynamic parameters were fitted by simulated annealing algorithm.In addition,industrial data and calculated dynamic parameters were used to determine the six-component concentration distributions using a radial reactor model.The influence of back-mixing on reaction performance was investigated.It was found that the model considering back-mixing was much closer to the real industrial reaction process.
文摘Over the years the team headed by Li Can at the CAS Dalian Institute of Chemical Physics (DICP) has been engaging in study on conversion of carbon dioxide. Hydrogen as a clean energy can be used to convert CO2 to liquid fuel and chemicals, which is an important strategy to achieve reduction of CO2 emissions and sustainable utilization of carbon source.
文摘On November 29,2013 the Shaanxi Coal Chemicals Technology Engineering Center,Ltd.(SCCTEC),the CNOOC Huizhou Refining and Chemical Company and the SINOPEC Luoyang Engineering Company,Ltd.signed an agreement on cooperation in development of
