Documents disponibles écrits par cet auteur

Etherification of glycerol with isobutylene to produce oxygenate additive using sulfonated peanut shell catalyst / Weiqin Zhao in Industrial & engineering chemistry research, Vol. 49 N° 24 (Décembre 2010) 

Public ISBD [article]  in Industrial & engineering chemistry research > Vol. 49 N° 24 (Décembre 2010) . - pp. 12399-12404 Titre : Etherification of glycerol with isobutylene to produce oxygenate additive using sulfonated peanut shell catalyst Type de document : texte imprimé Auteurs : Weiqin Zhao, Auteur ; Bolun Yang, Auteur ; Chunhai Yi, Auteur Année de publication : 2011 Article en page(s) : pp. 12399-12404 Note générale : Chimie industrielle Langues : Anglais (eng) Mots-clés : Catalyst  Additive  Etherification Résumé : A carbon-based solid acid catalyst was prepared by sulfonation of partially carbonized peanut shell, and characterized by SEM, EDS, BET analysis, FTIR spectroscopy, NH3 TPD, and TGA. The analytic results indicate that sulfonated peanut shell catalyst has an amorphous porous structure with a high acid capacity and good thermal stability and exhibits better catalytic activity for the glycerol etherification reaction than cation-exchange resin. With a molar ratio of isobutylene to glycerol of 4: a catalyst-to-glycerol mass ratio of 6 wt %, a reaction temperature of 343 K, and a reaction time of 2 h, glycerol was completely transformed into a mixture of glycerol ethers including mono-tert-butylglycerols (MTBGs), di-tert-butylglycerols (DTBGs), and tri-tert-butylglycerol (TTBG), and the selectivity toward the sum of the desired DTBGs and TTBG of 92.1% was obtained. Moreover, excellent reusability of the catalyst was also confirmed by repeated experiments. DEWEY : 660 ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=23691993 [article] Etherification of glycerol with isobutylene to produce oxygenate additive using sulfonated peanut shell catalyst [texte imprimé] / Weiqin Zhao, Auteur ; Bolun Yang, Auteur ; Chunhai Yi, Auteur . - 2011 . - pp. 12399-12404. Chimie industrielle Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 49 N° 24 (Décembre 2010) . - pp. 12399-12404 Mots-clés : Catalyst  Additive  Etherification Résumé : A carbon-based solid acid catalyst was prepared by sulfonation of partially carbonized peanut shell, and characterized by SEM, EDS, BET analysis, FTIR spectroscopy, NH3 TPD, and TGA. The analytic results indicate that sulfonated peanut shell catalyst has an amorphous porous structure with a high acid capacity and good thermal stability and exhibits better catalytic activity for the glycerol etherification reaction than cation-exchange resin. With a molar ratio of isobutylene to glycerol of 4: a catalyst-to-glycerol mass ratio of 6 wt %, a reaction temperature of 343 K, and a reaction time of 2 h, glycerol was completely transformed into a mixture of glycerol ethers including mono-tert-butylglycerols (MTBGs), di-tert-butylglycerols (DTBGs), and tri-tert-butylglycerol (TTBG), and the selectivity toward the sum of the desired DTBGs and TTBG of 92.1% was obtained. Moreover, excellent reusability of the catalyst was also confirmed by repeated experiments. DEWEY : 660 ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=23691993

Improved inheritance algorithm for the assembly of coal fragments / Zhao Lei in Industrial & engineering chemistry research, Vol. 50 N° 22 (Novembre 2011) 

Public ISBD [article]  in Industrial & engineering chemistry research > Vol. 50 N° 22 (Novembre 2011) . - pp. 12392–12399 Titre : Improved inheritance algorithm for the assembly of coal fragments Type de document : texte imprimé Auteurs : Zhao Lei, Auteur ; Bolun Yang, Auteur ; Jianwei Li, Auteur Année de publication : 2012 Article en page(s) : pp. 12392–12399 Note générale : Chimie industrielle Langues : Anglais (eng) Mots-clés : Coal  Algorithm Résumé : There are many methods to simulate coal structure that might be beneficial to coal technologies. However, they often suffer from producing an impractical structure and a large calculation time and could not be applied to most rank coal Hence, the hybrid inheritance algorithms combined with Elitist strategy (HIA-ES) and Monte Carlo and Elitist Strategy (HIA-MC-ES) are proposed to simulate the coal structure. The reported fragment structures of the coal macromolecule are summarized, and the fragment structure is accurately quantified with an adjacency matrix, an atom identification vector, bonding parameters, a bond characteristic index, and a functional group characteristic parameter, respectively. The humic acid (HA) is used to test the effectiveness of two algorithms since HA has the similar fragment structures with coal With the use of the method of HIA-ES, the numbers of fragment structures is gained. Then, the parameters of the simulated structures are obtained with the HIA-MC-ES method. Simulated HA and Shenfu coal structures are highly similar with the reported results, indicating that the two novel hybrid inheritance algorithms are effective to simulate a molecular structure for the most rank coal. DEWEY : 660 ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=24745711 [article] Improved inheritance algorithm for the assembly of coal fragments [texte imprimé] / Zhao Lei, Auteur ; Bolun Yang, Auteur ; Jianwei Li, Auteur . - 2012 . - pp. 12392–12399. Chimie industrielle Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 50 N° 22 (Novembre 2011) . - pp. 12392–12399 Mots-clés : Coal  Algorithm Résumé : There are many methods to simulate coal structure that might be beneficial to coal technologies. However, they often suffer from producing an impractical structure and a large calculation time and could not be applied to most rank coal Hence, the hybrid inheritance algorithms combined with Elitist strategy (HIA-ES) and Monte Carlo and Elitist Strategy (HIA-MC-ES) are proposed to simulate the coal structure. The reported fragment structures of the coal macromolecule are summarized, and the fragment structure is accurately quantified with an adjacency matrix, an atom identification vector, bonding parameters, a bond characteristic index, and a functional group characteristic parameter, respectively. The humic acid (HA) is used to test the effectiveness of two algorithms since HA has the similar fragment structures with coal With the use of the method of HIA-ES, the numbers of fragment structures is gained. Then, the parameters of the simulated structures are obtained with the HIA-MC-ES method. Simulated HA and Shenfu coal structures are highly similar with the reported results, indicating that the two novel hybrid inheritance algorithms are effective to simulate a molecular structure for the most rank coal. DEWEY : 660 ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=24745711

Kinetic modeling of the free-radical process during the initiated thermal cracking of normal alkanes with 1-nitropropane as an initiator / Yulei Guan in Industrial & engineering chemistry research, Vol. 50 N° 15 (Août 2011) 

Public ISBD [article]  in Industrial & engineering chemistry research > Vol. 50 N° 15 (Août 2011) . - pp. 9054-9062 Titre : Kinetic modeling of the free-radical process during the initiated thermal cracking of normal alkanes with 1-nitropropane as an initiator Type de document : texte imprimé Auteurs : Yulei Guan, Auteur ; Bolun Yang, Auteur ; Suitao Qi, Auteur Année de publication : 2011 Article en page(s) : pp. 9054-9062 Note générale : Chimie industrielle Langues : Anglais (eng) Mots-clés : Modeling  Thermal  cracking  Free  radical  Kinetic  model Résumé : To elucidate the accelerating effect of 1-nitropropane on the thennal cracking of normal alkanes, ab initio and density functional theory calculations were performed to investigate the elementary reactions involved in the initiated thermal cracking of a 1-nitropropane/n-heptane mixture. The kinetic parameters were evaluated on the basis of standard transition state theory (TST) or variational transition state theory (VTST) with Wigner tunneling correction. The activation energy for the C-N bond rupture of 1-nitropropane to produce primary n-propyl and nitro radicals is calculated to be 234-269 kJ/mol, while the bond dissociation energy of the C-C bond within the n-heptane molecule is predicted to be at least 335 kJ/mol. These calculated results demonstrate that the presence of 1-nitropropane makes the free radical formation become relatively easier compared with single n-heptane cracking. Furthermore, compared with the C-H bond cleavage and 1,3-H intramolecular transfer, the unstable n-propyl radical mainly follows the C-C bond cleavage pathway to produce ethylene and secondary CH3 radical. After formation of these free radicals, the H-abstraction of n-heptane with radicals occurs readily with considerably lower activation energy than the radical formation step to initiate the chain reaction. The analysis result indicates that the thermal cracking of n-heptane is accelerated mainly due to the change of the initial step from the C-C bond cleavage of n-heptane to the C-N bond rupture of 1-nitropropane. DEWEY : 660 ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=24395852 [article] Kinetic modeling of the free-radical process during the initiated thermal cracking of normal alkanes with 1-nitropropane as an initiator [texte imprimé] / Yulei Guan, Auteur ; Bolun Yang, Auteur ; Suitao Qi, Auteur . - 2011 . - pp. 9054-9062. Chimie industrielle Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 50 N° 15 (Août 2011) . - pp. 9054-9062 Mots-clés : Modeling  Thermal  cracking  Free  radical  Kinetic  model Résumé : To elucidate the accelerating effect of 1-nitropropane on the thennal cracking of normal alkanes, ab initio and density functional theory calculations were performed to investigate the elementary reactions involved in the initiated thermal cracking of a 1-nitropropane/n-heptane mixture. The kinetic parameters were evaluated on the basis of standard transition state theory (TST) or variational transition state theory (VTST) with Wigner tunneling correction. The activation energy for the C-N bond rupture of 1-nitropropane to produce primary n-propyl and nitro radicals is calculated to be 234-269 kJ/mol, while the bond dissociation energy of the C-C bond within the n-heptane molecule is predicted to be at least 335 kJ/mol. These calculated results demonstrate that the presence of 1-nitropropane makes the free radical formation become relatively easier compared with single n-heptane cracking. Furthermore, compared with the C-H bond cleavage and 1,3-H intramolecular transfer, the unstable n-propyl radical mainly follows the C-C bond cleavage pathway to produce ethylene and secondary CH3 radical. After formation of these free radicals, the H-abstraction of n-heptane with radicals occurs readily with considerably lower activation energy than the radical formation step to initiate the chain reaction. The analysis result indicates that the thermal cracking of n-heptane is accelerated mainly due to the change of the initial step from the C-C bond cleavage of n-heptane to the C-N bond rupture of 1-nitropropane. DEWEY : 660 ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=24395852

Kinetics study of 3-methylthiophene alkylation with isobutylene catalyzed by NKC-9 ion exchange resin / Yu Liu in Industrial & engineering chemistry research, Vol. 50 N° 16 (Août 2011) 

Public ISBD [article]  in Industrial & engineering chemistry research > Vol. 50 N° 16 (Août 2011) . - pp. 9609-9616 Titre : Kinetics study of 3-methylthiophene alkylation with isobutylene catalyzed by NKC-9 ion exchange resin Type de document : texte imprimé Auteurs : Yu Liu, Auteur ; Bolun Yang, Auteur ; Chunhai Yi, Auteur Année de publication : 2011 Article en page(s) : pp. 9609-9616 Note générale : Chimie industrielle Langues : Anglais (eng) Mots-clés : Ion  exchange  resin  Catalytic  reaction  Alkylation  Kinetics Résumé : A series of experiments were carried out in a stirred batch reactor at the temperature range of 333-363 K and the pressure of 1.5—2.5 MPa by using NKC-9 ion-exchange resin to investigate the alkylation kinetics of 3-methylthiophene (3MT) with isobutylene (IB). The effect of various operation parameters such as stirring speed, catalyst particle size, temperature, pressure, and sulfur content on the conversion and selectivity of alkylation reaction were studied. Experimental results indicated that the alkylation of 3MT with IB was followed by a parallel reaction of IB oligomerization; higher temperature could improve the alkylation activity while lower temperature was profitable to the reaction selectivity over the NKC-9 catalyst; however, the operating pressure has little effect on the alkylation and oligomerization; much sulfur content could inhibit IB dimerization. The Eley-Rideal (ER) law can be used to explain the reaction mechanism, and the kinetics models that considered the alkylation and oligomerization at the same time were established. Kinetics parameters were solved, and the calculation results agreed well with the experimental results. DEWEY : 660 ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=24425204 [article] Kinetics study of 3-methylthiophene alkylation with isobutylene catalyzed by NKC-9 ion exchange resin [texte imprimé] / Yu Liu, Auteur ; Bolun Yang, Auteur ; Chunhai Yi, Auteur . - 2011 . - pp. 9609-9616. Chimie industrielle Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 50 N° 16 (Août 2011) . - pp. 9609-9616 Mots-clés : Ion  exchange  resin  Catalytic  reaction  Alkylation  Kinetics Résumé : A series of experiments were carried out in a stirred batch reactor at the temperature range of 333-363 K and the pressure of 1.5—2.5 MPa by using NKC-9 ion-exchange resin to investigate the alkylation kinetics of 3-methylthiophene (3MT) with isobutylene (IB). The effect of various operation parameters such as stirring speed, catalyst particle size, temperature, pressure, and sulfur content on the conversion and selectivity of alkylation reaction were studied. Experimental results indicated that the alkylation of 3MT with IB was followed by a parallel reaction of IB oligomerization; higher temperature could improve the alkylation activity while lower temperature was profitable to the reaction selectivity over the NKC-9 catalyst; however, the operating pressure has little effect on the alkylation and oligomerization; much sulfur content could inhibit IB dimerization. The Eley-Rideal (ER) law can be used to explain the reaction mechanism, and the kinetics models that considered the alkylation and oligomerization at the same time were established. Kinetics parameters were solved, and the calculation results agreed well with the experimental results. DEWEY : 660 ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=24425204

Molecule simulation for the secondary reactions of fluid catalytic cracking gasoline by the method of structure oriented lumping combined with Monte Carlo / Bolun Yang in Industrial & engineering chemistry research, Vol. 47 n°14 (Juillet 2008) 

Public ISBD [article]  in Industrial & engineering chemistry research > Vol. 47 n°14 (Juillet 2008) . - p. 4648–4657 Titre : Molecule simulation for the secondary reactions of fluid catalytic cracking gasoline by the method of structure oriented lumping combined with Monte Carlo Type de document : texte imprimé Auteurs : Bolun Yang, Auteur ; Xiaowei Zhou, Auteur ; Chun Chen, Auteur ; Jun Yuan, Auteur Année de publication : 2008 Article en page(s) : p. 4648–4657 Note générale : Bibliogr. p. 4656-4657 Langues : Anglais (eng) Mots-clés : Fluid  catalytic  cracking  gasoline;  Structure  oriented  lumping;  Monte  Carlo Résumé : To overcome the drawback of the traditional lumping method, a new method constructed from structure oriented lumping (SOL) combined with Monte Carlo (MC) to simulate the secondary reactions process of fluid catalytic cracking (FCC) gasoline was developed. The SOL method was applied to represent the feedstocks and products configuration framework; then, more than 60 item reaction rules were established to produce all the reaction networks for the secondary reactions of FCC gasoline. By integral calculating each molecule reaction probability using the MC method, the product distribution thus can be obtained. Three samples of catalytic cracking gasoline, taken from the industrial FCC units of China have been used as feedstock of the simulation to check the validity of the proposed method. Some integral properties, such as average molecular weight, element compositions, and hydrocarbon compositions were predicted. The yield of upgraded gasoline, dry gas, liquefied petroleum gas (LPG), light cycle oil (LCO), heavy oil, coke, and olefin changes with extent of reaction were also simulated with this method and the predicted results agreed well with the experimental data. En ligne : http://pubs.acs.org/doi/abs/10.1021/ie800023x [article] Molecule simulation for the secondary reactions of fluid catalytic cracking gasoline by the method of structure oriented lumping combined with Monte Carlo [texte imprimé] / Bolun Yang, Auteur ; Xiaowei Zhou, Auteur ; Chun Chen, Auteur ; Jun Yuan, Auteur . - 2008 . - p. 4648–4657. Bibliogr. p. 4656-4657 Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 47 n°14 (Juillet 2008) . - p. 4648–4657 Mots-clés : Fluid  catalytic  cracking  gasoline;  Structure  oriented  lumping;  Monte  Carlo Résumé : To overcome the drawback of the traditional lumping method, a new method constructed from structure oriented lumping (SOL) combined with Monte Carlo (MC) to simulate the secondary reactions process of fluid catalytic cracking (FCC) gasoline was developed. The SOL method was applied to represent the feedstocks and products configuration framework; then, more than 60 item reaction rules were established to produce all the reaction networks for the secondary reactions of FCC gasoline. By integral calculating each molecule reaction probability using the MC method, the product distribution thus can be obtained. Three samples of catalytic cracking gasoline, taken from the industrial FCC units of China have been used as feedstock of the simulation to check the validity of the proposed method. Some integral properties, such as average molecular weight, element compositions, and hydrocarbon compositions were predicted. The yield of upgraded gasoline, dry gas, liquefied petroleum gas (LPG), light cycle oil (LCO), heavy oil, coke, and olefin changes with extent of reaction were also simulated with this method and the predicted results agreed well with the experimental data. En ligne : http://pubs.acs.org/doi/abs/10.1021/ie800023x

Ni2P catalysts supported on titania - modified alumina for the hydrodesulfurization of dibenzothiophene / Tao Chen in Industrial & engineering chemistry research, Vol. 50 N° 19 (Octobre 2011) 

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Process simulation based on experimental investigations for 3 - methylthiophene alkylation with isobutylene in a reactive distillation column / Yu Liu in Industrial & engineering chemistry research, Vol. 51 N° 29 (Juillet 2012) 

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