“Even the just
may sin with an open chest of gold
before them” -- Latin Proverb
Procedia encompasses a number of interesting open access sources. Many of them will interest anyone engaged in desulfurization research. As such, they are good for full text browsing. The easiest way to search for Procedia articles is to go to the ScienceDirect site (www.sciencedirect.com) and do an advanced search.
Here is a recent article …
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Comparison Between Alkylation and Transalkylation Reactions Using Ab Initio Approach
Procedia Chemistry 10 ( 2014 ) 430 – 436
2014 The Authors. Published by Elsevier B.V. This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/3.0/).
XV International Scientific Conference “Chemistry and Chemical Engineering in XXI century” dedicated to Professor L.P. Kulyov
By Asem Nurmakanova, Anastasiya Salischeva, Alyona Chudinova, Elena Ivashkina, & Anna Syskina
National Research Tomsk Polytechnic, University, Lenin Avenue, 30, Tomsk, 634050, Russian Federation
OJSC “Omsky Kauchuk”, prospekt Gubkina, 30, Omsk, 644035, Russian Federation
Abstract
This study concerns thermodynamic and kinetic regularities of benzene alkylation with propylene and diisopropylbenzene transalkylation by investigating reaction mechanism. For each step, thermodynamic parameters, such as pre - exponential factor and activation energy were determined. Ab initio approach was used for this purpose. Also effects of solvation and ions formation were taken into account. Finally, comparative analysis of two processes was made.
1. Introduction
1.1 Background
Cumene is an important raw material in petrochemistry to obtain phenol and its co - product – acetone . Usually cumene is produced at the same facility that manufactures phenol. Its synthesis is based on the alkylation of benzene with propylene using a с id catalysts. The main technology now used for cumene producing is a process catalyzed by phosphoric acid loaded on ceyssatite patented by the Universal Oil Products Company (UOP Co.). AlCl3 is also chosen as the catalyst. However, such materials usually introduce various problems such as corrosion, harmful effects on the environment . Some processers used BF3, but it had controlling difficulties in comparison with AlCl, and the BF3 process requires higher temperature and pressure to operate. Since 1965, acid zeolite is of great interest for cumene manufacture, but only recently it has been commercialized by Dow, Mobil, CD Tech, UOP and Enichem. Despite that, zeolite catalysts were widely used because of their safety, easy deactivation by coking, short regeneration cycle, and hard reaction condition became problems. A new type of catalyst for this process – ionic liquids – was developed, but is not commercialized . In spite of new catalysts emergence, process with aluminum chloride stays actual for many cumene producers. It is necessary to increase cumene production, because nowadays demand for cumene rose up to 12 million tons in 2011 and keeps growing.
1 .2 Reaction
The alkylation reaction of benzene with propylene is carried out in the presence of Lewis acids. It is known that alkylation occurs through activation of the olefin by catalyst, and then activated complex react s with benzene and alkylbenzenes.
Source: http://ac.els-cdn.com/S187661961400117X/1-s2.0-S187661961400117X-main.pdf?_tid=671789cc-a8b0-11e4-8ee1-00000aacb35e&acdnat=1422643812_65c2c345f702f7eeb47cc1e59aef483e
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TIP: Try the following search in ScienceDirect (www.sciencedirct.com) …
Elsevier ScienceDirect (www.sciencedirect.com) Advanced Search:
Journal Name: Procedia
Any field: Dibenzothiophene
Here are some of the results of the above search …
///////
Ionic Liquids: - The Novel Solvent for Removal of Dibenzothiophene from Liquid Fuel
Procedia Engineering, Volume 51, 2013, Pages 314-317
Composition of Initiated Cracking Products of High-sulfur Natural Bitumen
Procedia Chemistry, Volume 10, 2014, Pages 326-331
Deep Removal of Sulfur from Model Liquid Fuels using 1-Butyl-3-Methylimidazolium Chloride
Procedia Engineering, Volume 51, 2013, Pages 416-422
Sonocatalytic Oxidative Desulfurization of Thiophene and Its Derivatives
Procedia Engineering, Volume 42, 2012, Pages 1711-1719
Geochemistry of Aromatic Fractions in Es4 Oil Extracts from the South Slope of Dongying Sag and Its Implications
Procedia Environmental Sciences, Volume 11, Part B, 2011, Pages 680-685
The Biomarker Properties and Comparisons of Sahinali, Beypazarı and Karapınar (Turkey) Coaly Plio-Miocene Depositions
Energy Procedia, Volume 59, 2014, Pages 142-149
Heat Treatment Condition Influence on Novokuibyshevsk Vacuum Residue Component Composition
Procedia Chemistry, Volume 10, 2014, Pages 424-429
Recovery of Hazardous Metals from Spent Refinery Processing Solid Catalyst
Procedia Environmental Sciences, Volume 16, 2012, Pages 253-256
Enhanced Adsorption of Methyl Orange by Vermiculite Modified by Cetyltrimethylammonium Bromide (CTMAB)
Procedia Environmental Sciences, Volume 13, 2012, Pages 2179-2187
Air-Stable Anthracene-Phosphine Oxide Adduct Ligand in Pd Catalysed Suzuki-Miyaura Reactions
APCBEE Procedia, Volume 3, 2012, Pages 154-160
Biodegradation of Phthalate Esters by Variovorax sp
APCBEE Procedia, Volume 1, 2012, Pages 16-21
Analysis of Volatile Components from Dictyophora rubrovolota Zang, Ji Et Liou
Procedia Engineering, Volume 37, 2012, Pages 240-249
Cracking of Petroleum Residues by Reactive Molecular Distillation
Procedia Engineering, Volume 42, 2012, Pages 329-334
The Distribution of n-alkanes and polycyclic aromatic hydrocarbons in Water of Taihu Lake
Procedia Environmental Sciences, Volume 12, Part A, 2012, Pages 258-264
///////
Procedia encompasses a number of interesting open access sources. Many of them will interest anyone engaged in desulfurization research. As such, they are good for full text browsing. The easiest way to search for Procedia articles is to go to the ScienceDirect site (www.sciencedirect.com) and do an advanced search.
Here is a recent article …
///////
Comparison Between Alkylation and Transalkylation Reactions Using Ab Initio Approach
Procedia Chemistry 10 ( 2014 ) 430 – 436
2014 The Authors. Published by Elsevier B.V. This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/3.0/).
XV International Scientific Conference “Chemistry and Chemical Engineering in XXI century” dedicated to Professor L.P. Kulyov
By Asem Nurmakanova, Anastasiya Salischeva, Alyona Chudinova, Elena Ivashkina, & Anna Syskina
National Research Tomsk Polytechnic, University, Lenin Avenue, 30, Tomsk, 634050, Russian Federation
OJSC “Omsky Kauchuk”, prospekt Gubkina, 30, Omsk, 644035, Russian Federation
Abstract
This study concerns thermodynamic and kinetic regularities of benzene alkylation with propylene and diisopropylbenzene transalkylation by investigating reaction mechanism. For each step, thermodynamic parameters, such as pre - exponential factor and activation energy were determined. Ab initio approach was used for this purpose. Also effects of solvation and ions formation were taken into account. Finally, comparative analysis of two processes was made.
1. Introduction
1.1 Background
Cumene is an important raw material in petrochemistry to obtain phenol and its co - product – acetone . Usually cumene is produced at the same facility that manufactures phenol. Its synthesis is based on the alkylation of benzene with propylene using a с id catalysts. The main technology now used for cumene producing is a process catalyzed by phosphoric acid loaded on ceyssatite patented by the Universal Oil Products Company (UOP Co.). AlCl3 is also chosen as the catalyst. However, such materials usually introduce various problems such as corrosion, harmful effects on the environment . Some processers used BF3, but it had controlling difficulties in comparison with AlCl, and the BF3 process requires higher temperature and pressure to operate. Since 1965, acid zeolite is of great interest for cumene manufacture, but only recently it has been commercialized by Dow, Mobil, CD Tech, UOP and Enichem. Despite that, zeolite catalysts were widely used because of their safety, easy deactivation by coking, short regeneration cycle, and hard reaction condition became problems. A new type of catalyst for this process – ionic liquids – was developed, but is not commercialized . In spite of new catalysts emergence, process with aluminum chloride stays actual for many cumene producers. It is necessary to increase cumene production, because nowadays demand for cumene rose up to 12 million tons in 2011 and keeps growing.
1 .2 Reaction
The alkylation reaction of benzene with propylene is carried out in the presence of Lewis acids. It is known that alkylation occurs through activation of the olefin by catalyst, and then activated complex react s with benzene and alkylbenzenes.
Source: http://ac.els-cdn.com/S187661961400117X/1-s2.0-S187661961400117X-main.pdf?_tid=671789cc-a8b0-11e4-8ee1-00000aacb35e&acdnat=1422643812_65c2c345f702f7eeb47cc1e59aef483e
///////
TIP: Try the following search in ScienceDirect (www.sciencedirct.com) …
Elsevier ScienceDirect (www.sciencedirect.com) Advanced Search:
Journal Name: Procedia
Any field: Dibenzothiophene
Here are some of the results of the above search …
///////
Ionic Liquids: - The Novel Solvent for Removal of Dibenzothiophene from Liquid Fuel
Procedia Engineering, Volume 51, 2013, Pages 314-317
Composition of Initiated Cracking Products of High-sulfur Natural Bitumen
Procedia Chemistry, Volume 10, 2014, Pages 326-331
Deep Removal of Sulfur from Model Liquid Fuels using 1-Butyl-3-Methylimidazolium Chloride
Procedia Engineering, Volume 51, 2013, Pages 416-422
Sonocatalytic Oxidative Desulfurization of Thiophene and Its Derivatives
Procedia Engineering, Volume 42, 2012, Pages 1711-1719
Geochemistry of Aromatic Fractions in Es4 Oil Extracts from the South Slope of Dongying Sag and Its Implications
Procedia Environmental Sciences, Volume 11, Part B, 2011, Pages 680-685
The Biomarker Properties and Comparisons of Sahinali, Beypazarı and Karapınar (Turkey) Coaly Plio-Miocene Depositions
Energy Procedia, Volume 59, 2014, Pages 142-149
Heat Treatment Condition Influence on Novokuibyshevsk Vacuum Residue Component Composition
Procedia Chemistry, Volume 10, 2014, Pages 424-429
Recovery of Hazardous Metals from Spent Refinery Processing Solid Catalyst
Procedia Environmental Sciences, Volume 16, 2012, Pages 253-256
Enhanced Adsorption of Methyl Orange by Vermiculite Modified by Cetyltrimethylammonium Bromide (CTMAB)
Procedia Environmental Sciences, Volume 13, 2012, Pages 2179-2187
Air-Stable Anthracene-Phosphine Oxide Adduct Ligand in Pd Catalysed Suzuki-Miyaura Reactions
APCBEE Procedia, Volume 3, 2012, Pages 154-160
Biodegradation of Phthalate Esters by Variovorax sp
APCBEE Procedia, Volume 1, 2012, Pages 16-21
Analysis of Volatile Components from Dictyophora rubrovolota Zang, Ji Et Liou
Procedia Engineering, Volume 37, 2012, Pages 240-249
Cracking of Petroleum Residues by Reactive Molecular Distillation
Procedia Engineering, Volume 42, 2012, Pages 329-334
The Distribution of n-alkanes and polycyclic aromatic hydrocarbons in Water of Taihu Lake
Procedia Environmental Sciences, Volume 12, Part A, 2012, Pages 258-264
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