Saturday, September 25, 2010

A piece of the pie: Scholar Alert: [ "π complexation" ]

“If you want to make an apple pie from scratch, you must first create the universe.” -- Dr. Carl Sagan (American Astronomer, Writer and Scientist, 1934-1996)

The ostensible purpose of this blog is to highlight desulfurization resources, but truth be told, tips and tricks are what this blog is all about.

Below are abstracts of a number of articles I found by virtue of the fact that I subscribe to a Google Scholar alert on "π complexation." This is a term that crops up in many articles pertaining to desulfurization.

Several lessons to be learned here …
Alerts … create them judiciously, to avoid information overload
Google tools … Google provides a number of tools and resources that can make your job easier, including Scholar searching. Create a Scholar search to focus on scholarly articles. If the search retrieves the type of information you need, use the search to create an alert
Key words … as you find and read articles of interest, note the key words that can help you create future searches
Metadata … there is data, and there is data ABOUT the data … that’s metadata. Metadata includes author names, journal names, institution names, and assigned keywords. Make a note, keep a list, of the metadata of articles of interest to you … you will build a personal database of metadata that can help you focus future searches.

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Selected results of recent Google Scholar Alert: [ "π complexation" ]
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Fuel Processing Technology
Oxidation desulfurization of fuel using pyridinium-based ionic liquids as phase-transfer catalysts
Dishun Zhao a (dishunzhao@yahoo.com.cn), Yanan Wang b, Erhong Duan c and Juan Zhang a
a School of Chemistry and Pharmaceutical Engineering, Hebei University of Science and Technology, Shi jiazhuang 050018, China
b School of Textile and Garment, Hebei University of Science and Technology, Shijiazhuang 050018, China
c School of Environmental Science and Engineering, Hebei University of Science and Technology, Shijiazhuang 050018, China
Received 20 February 2010; revised 22 July 2010; accepted 1 August 2010. Available online 9 September 2010.
Abstract
In this work, several ionic liquids based on pyridinium cations are prepared. The ionic liquids are employed as phase-transfer catalysts (PTCs) for phasetransfer catalytic oxidation of dibenzothiophene (DBT) dissolved in n-octane. The partition coefficients of DBT between ionic liquids and n-octane are investigated. Then H2O2–formic acid is used as an oxidant and ionic liquids are used as PTCs. The reaction turns to be heterogeneous and desulfurization rate of DBT increased apparently. When IL ([BPy]HSO4) is used as PTC, and the condition are: temperature is 60 °C, time is 60 min, H2O2/sulfur molar ratio (O/S) is 4, the desulfurization rate reaches the maximum (93.3%), and the desulfurization of the real gasoline is also investigated, 87.7% of sulfur contents are removed under optima reaction conditions. The PTC [BPy]HSO4 can be recycled for five times without significant decrease in activity.
Keywords: Desulfurization; Phase-transfer catalysts; Oxidation; Ionic liquids
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Liquid−Liquid Equilibrium Data in Ionic Liquid + 4-Methyldibenzothiophene + n-Dodecane Systems
Leonardo Hadlich de Oliveira and Martn Aznar*
School of Chemical Engineering, University of Campinas, Av. Albert Einstein 500, 13083-852 Campinas, SP, Brazil
Ind. Eng. Chem. Res., Article ASAP
DOI: 10.1021/ie1009876
Publication Date (Web): September 7, 2010
Copyright © 2010 American Chemical Society
* To whom correspondence should be addressed. Tel.: +55 19 3521 3962. E-mail: maznar@feq.unicamp.br.
AbstractIn this work, liquid−liquid equilibrium data for 1-ethyl-3-methylimidazolium diethylphosphate ([emim][DEtPO4]) or 1-ethyl-3-methylimidazolium ethylsulfate ([emim][EtSO4]) + 4-methyl-dibenzothiophene (4-MDBT) + n-dodecane systems at 25 and 40 °C and atmospheric pressure (≈95 kPa) were determined by refractometry. 4-MDBT is a DBT derivative and it is one of the most difficult diesel sulfur pollutants to remove by the conventional process of hydrodesulfurization. The liquid−liquid equilibrium data were used to study the 4-MDBT extraction from n-dodecane as model diesel oil. 4-MDBT distribution coefficients, solvent selectivities, and extraction data also indicate that [emim][DEtPO4] is a better solvent for extractive desulfurization of n-dodecane than [emim][EtSO4]. For a solvent/n-dodecane mass ratio of 0.6, the sulfur content in n-dodecane decreases 17−24% and 5−15% for [emim][DEtPO4] and [emim][EtSO4], respectively. The quality of the data was ascertained by the Hand and Othmer−Tobias correlations, which presented R2 > 0.97 for all systems. The NRTL model was used to correlate the data and showed root-mean-square deviations of <0.15%.
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Iranian Journal of Chemical Engineering
Vol. 7, No. 1 (Winter), 2010, IAChE
Selective Transport of Propylene by Silver Ion Complex Through
an Immobilized Liquid Membrane
M. Takht Ravanchi1,2, T. Kaghazchi1∗, A. Kargari3
1- Center of Excellence for Petrochemical Engineering, Department of Chemical Engineering, Amirkabir
University of Technology (Tehran Polytechnic), Tehran, Iran.
2- National Petrochemical Company, Research and Technology Co., Tehran, Iran.
3- Petrochemical Engineering Department, Amirkabir University of Technology (Tehran Polytechnic),
Mahshahr Campus, Mahshahr, Iran
Abstract
The separation of hydrocarbon mixture using facilitated transport membrane (an immobilized liquid membrane type) was investigated. A 50:50 (vol. %) propylenepropane mixture was used as a sample of the hydrocarbon mixture. The effect of transmembrane pressure (in the range of 50-120 kPa) and carrier concentration (in the range of 0-20 wt.% AgNO3) on separation performance was studied experimentally and mathematically. It was observed that increasing trans-membrane pressure and carrier concentration supports the separation factor and propylene permeation rate. On the other hand, increasing trans-membrane pressure and decreasing carrier concentration supports the propane permeation rate. Hence, the greater the trans-membrane pressure and carrier concentration, the more purified the product obtained. It was found that at trans-membrane pressure of 120kPa and carrier concentration of 20wt. %, the highest separation factor (270) and propylene permeation rate (7*10-7mol/s) was obtained. The average deviation between the experimental and modeling results was found to be 5.3% for propylene permeation rate and 0.03% for propane permeation rate.
Keywords: Facilitated Transport, Immobilized Liquid Membrane, Modeling,
Propylene, Propane, Silver Nitrate
∗ Corresponding author: kaghazchi@aut.ac.ir
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Fuel
Effectiveness of metal–organic frameworks for removal of refractory organo-sulfur compound present in liquid fuels
G. Blanco-Brievaa, J.M. Campos-Martina, S.M. Al-Zahranib and J.L.G. Fierroa (JLGFierroa@icp.csic.es)
a Sustaninable Energy and Chemistry Group (EQS), Instituto de Catálisis y Petroleoquímica, CSIC, c/Marie Curie, 2 Cantoblanco, 28049 Madrid, Spain1
b Chemical Engineering Department, College of Engineering, King Saud University, Riyadh, Saudi Arabia
Received 5 February 2010; revised 6 August 2010; accepted 11 August 2010. Available online 24 August 2010.
Abstract
Adsorption of organo-sulfur compounds present in liquid fuels on metal–organic framework (MOF) compounds is an efficient alternative to the conventional hydrodesulfurization process. It has been demonstrated that the extent of dibenzothiophene (DBT) adsorption at temperatures close to ambient (304 K) is much higher on MOFs systems than on the benchmarked Y-type zeolite. In addition, the DBT adsorption capacity depends strongly on the MOF type as illustrated by the much higher extent of adsorption observed on the copper- (C300) and Al-containing (A100) MOF systems than on the Fe-containing (F300) MOF counterpart. With the aim to investigate the operation in consecutive cycles, the MOFs used in adsorption experiments were regenerated. In addition, the remaining S-containing compounds were identified and quantified by photoelectron spectroscopy (XPS). Examination of S2p core-level spectrum of the adsorbed S-compounds of regenerated MOFs pointed out that a fraction of these molecules become oxidized into S(VI) species.
Keywords: Metal–organic frameworks; Sulfur compounds; Adsorption; Isotherms
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Journal of Chemical & Engineering Data
Adsorption Kinetics and Equilibria of Carbon Dioxide, Ethylene, and Ethane on 4A(CECA) Zeolite
A. Romero-Prez and G. Aguilar-Armenta*
Facultad de Ciencias Qumicas, Benemrita Universidad Autnoma de Puebla, 14 Sur y Av. San Claudio, Ciudad Universitaria, 72570 Puebla, Pue., Mxico
J. Chem. Eng. Data, 2010, 55 (9), pp 3625–3630
DOI: 10.1021/je100215c
Publication Date (Web): August 25, 2010
Copyright © 2010 American Chemical Society
* Corresponding author. E-mail address: geaguila0@gmail.com
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Production of low sulfur diesel fuel via adsorption: an equilibrium and kinetic study on the adsorption of dibenzothiophene onto NaY zeolite
Jianzhun Jiang and Flora T. T. Ng
Abstract
The adsorption of dibenzothiophene (DBT) in hexadecane onto NaY zeolite has been studied by performing equilibrium and kinetic adsorption experiments. The influence of several variables such as contact time, initial concentration of DBT and temperature on the adsorption has been investigated. The results show that the isothermal equilibrium can be represented by the Langmuir equation. The maximum adsorption capacity at different temperatures and the corresponding Langmuir constant (K L ) have been deduced. The thermodynamic parameters (ΔG 0,ΔH 0,ΔS 0) for the adsorption of DBT have also been calculated from the temperature dependence of K L using the van’t Hoff equation. The value of ΔH 0,ΔS 0 are found to be −30.3 kJ mol−1 and −33.2 J mol−1 K−1 respectively. The adsorption is spontaneous and exothermic. The kinetics for the adsorption process can be described by either the Langmuir model or a pseudo-second-order model. It is found that the adsorption capacity and the initial rate of adsorption are dependent on contact time, temperature and the initial DBT concentration. The low apparent activation energy (12.4 kJ mol−1) indicates that adsorption has a low potential barrier suggesting a mass transfer controlled process. In addition, the competitive adsorption between DBT, naphthalene and quinoline on NaY was also investigated.
Keywords Dibenzothiophene - Adsorption - NaY zeolite - Sulfur removal - Adsorptive model - Enthalpy of adsorption
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