Phthalic acid as a di-functional organocatalyst for the regioselective thiocyanation of aromatic compounds
S.
Sajjadifar
Department of Chemistry, Payame Noor University, Tehran, P.O. Box 19395-4697, Iran
author
M.A.
Zolfigol
Faculty of Chemistry, Bu-Ali Sina University, Hamedan, P.O. Box 6517838683, Iran
author
A.
Ghorbani-Choghamarani
Department of Chemistry, Faculty of Science, Ilam University, Ilam, P.O. Box 69315516, Iran
author
A.R.
Banaei
Department of Chemistry, Payame Noor University, Tehran, P.O. Box 19395-4697, Iran
author
S.
Karimian
Department of Chemistry, Payame Noor University, Tehran, P.O. Box 19395-4697, Iran
author
S.
Miri
Department of Chemistry, Payame Noor University, Tehran, P.O. Box 19395-4697, Iran.
author
text
article
2014
eng
A green and simple procedure for the thiocyanation of aromatic and heteroaromaric compounds in the presence of a catalytic amount of phthalic acid in water/ethanol is described. The reactions proceed at high yields, short reaction times and mild conditions.
Scientia Iranica
Sharif University of Technology
1026-3098
21
v.
6
no.
2014
2005
2011
https://scientiairanica.sharif.edu/article_3592_1ea55c16209799e445a8c82ab7e140ba.pdf
Determination of cadmium in water and environmental samples by inductively coupled plasma atomic emission spectrometry after solid phase extraction using thiosemicarbazide derivative on alumina
F.
Sabermahani
Department of Chemistry, Payame Noor University, Tehran, P.O. Box 19395-4697, Iran.
author
R.
Askari
Iran's Pistachio Research Institute, Rafsanjan, P.O. Box 77175-435, Iran
author
S.J.
Hosseinifard
Iran's Pistachio Research Institute, Rafsanjan, P.O. Box 77175-435, Iran
author
M.
Saeidi
Department of Chemistry, Vali-e-asr University of Rafsanjan, Iran
author
text
article
2014
eng
A simple and selective method for the determination of cadmium ions in environmental samples by ICP-AES after solid-phase extraction was developed. The method is based on the sorption of Cd2+ ions on alumina modied by 1-((5-nitrofuran- 2-yl)) thiosemicarbazide (NFMTC) at pH of 6. The metal ..........
Scientia Iranica
Sharif University of Technology
1026-3098
21
v.
6
no.
2014
2012
2020
https://scientiairanica.sharif.edu/article_3593_eb6dc585cba1f57f61c7811f059b3fce.pdf
DFT study of N-substituted sulfamic acid derivatives acidity in aqueous media and gas phase
B.
Khalili
Department of Chemistry, Faculty of sciences, Guilan University, P.O. Box: 41335-1914, Rasht, Iran
author
M.
Rimaz
Department of Chemistry, Payame Noor University, P. O. Box 19395-3697, Tehran, Iran
author
T.
Tondro
Department of Chemistry, Faculty of sciences, Guilan University, P.O. Box: 41335-1914, Rasht, Iran
author
text
article
2014
eng
Sulfamic acids are very important compounds with a little consideration in the literature that have wide range of applications in our life. Various N-alkyl and N-cycloalkyl sulfamic acids selected and their acidity was calculated in gas and aqueous media. pkavalues obtained with the use of two thermodynamic cycles that differ in the reference molecule which were used with them. Obtained pka values show strong acidity for sulfamic acids. We used density functional theory for all calculations.
Scientia Iranica
Sharif University of Technology
1026-3098
21
v.
6
no.
2014
2021
2028
https://scientiairanica.sharif.edu/article_3594_ed797893f17148b05736e7d098ff70c2.pdf
Stability of Binary and Ternary Copper (II) Complexes of 2((4-methyl-5-nitro-6-(pyrrolidine-1-yl)pyrimidine-2-yl)amino) propionic acid, in Aqueous Solution
S. A. A.
Sajadi
Sharif University of Technology, Institute of Water & Energy, P.O.Box 11155-8639 Tehran, Iran
author
G.
Bagherzadeh
Departement of Chemistry, Birjand University, Birjand, Iran
author
M.
Khaleghian
Sharif University of Technology, Institute of Water & Energy, P.O.Box 11155-8639 Tehran, Iran
author
M.
Kermani
Departement of Chemistry, Birjand University, Birjand, Iran
author
text
article
2014
eng
The acidity and stability constants of M (MNPPAP)[1] M: Cu2+, Cu (Bpy[2])2+, or Cu(Phen[3])2+ complexes, were determined by potentiometric pH titration. It is shown that the stability of the binary Cu (MNPPAP) complex is determined by the basicity of the carboxylate group on one side and amine group on the other side. It is demonstrated that the equilibrium, Cu(Har[4])2+ + Cu(MNPPAP) Cu(Har)(MNPPAP) + Cu2+, is displacement due to the well known experience that mixed ligand complexes formed by a divalent 3d ion, a heteroaromatic N base and an O donor ligand possess increased stability. The other part of this displacement, which amount on average to no increased stability of the mixed ligand Cu (Bpy)(MNPPAP) and Cu(Phen)(MNPPAP) complexes. The stability constants were determined by potentiometric pH titration in aqueous solution. The order of the stability constants was reported. A comparative investigation between ternary complexes of MNPPAP, Trp[5] and Gly[6] is made. The comparison of stability constants of these ternary complexes show that Cu (Har) (MNPPAP) and Cu (Har) (Gly) exist in open form but Cu (Har)(Trp) is found near 100% in closed form. The differences between the above mentioned stability constants based on stacked form of Cu (Har) (Trp). The last provides for increased stability compared with Cu (Har)(MNPPAP).
Scientia Iranica
Sharif University of Technology
1026-3098
21
v.
6
no.
2014
2029
2035
https://scientiairanica.sharif.edu/article_3595_1c67862773f296750081de50df44cf80.pdf
Adsorption of methyl-orange from aqueous solution onto nanoporous silica materials
M.
Anbia
Research Laboratory of Nanoporous Materials, Faculty of Chemistry, Iran University of Science and Technology, Narmak, Tehran16846, Iran
author
S.
Salehi
Research Laboratory of Nanoporous Materials, Faculty of Chemistry, Iran University of Science and Technology, Narmak, Tehran16846, Iran
author
text
article
2014
eng
The batch-adsorption experiments are carried out for anionic dye(methyl orange) using uncalcined mesoporous materials, calcined mesoporous materials and modified mesoporous materials by impregnation method using polyelectrolyte (PDDA, poly (diallydimethylammonium chloride)) as a modification agent. The resulting samples were characterized by XRD, FT-IR and nitrogen adsorption–desorption analysis. The results indicate that uncalcined MCM-48 silica mesoporous molecular sieves (noted as MCM-48) can be used as the effective adsorbent for the removal of methyl orange (MO) from aqueous system. The effect of various factors such as chemical modification, contact time, initial concentration, adsorbent dose, agitation speed, and solution pH and reaction temperature has been studied. The experimental data obtained with MCM-48 fits best to the Langmuir isotherm model and exhibits a maximum adsorption capacity (qmax) of 769.23 mg g−1; and follows the second-order equation.
Scientia Iranica
Sharif University of Technology
1026-3098
21
v.
6
no.
2014
2036
2048
https://scientiairanica.sharif.edu/article_3596_ccb428f422e206d4479023536d94112f.pdf
Efficient synthesis of 9-aryl-1,8-dioxo-octahydroxanthenes using melamine trisulfonic acid under thermal, microwave and ultrasound conditions
Ahmad Reza
Moosavi-Zare
Department of Chemistry, University of Sayyed Jamaleddin Asadabadi, Asadabad 6541835583, Iran
author
Mahshad
Rezaei
Department of Chemistry, Payame Noor University, PO BOX 19395-3697, Tehran, Iran c Young Researchers Club, Takestan Branch, Islamic Azad University, Takestan, Iran
author
Maria
Merajoddin
Young Researchers Club, Takestan Branch, Islamic Azad University, Takestan, Iran
author
Hooshang
Hamidian
Department of Chemistry, Payame Noor University, PO BOX 19395-3697, Tehran, Iran
author
Abdolkarim
Zare
Department of Chemistry, Payame Noor University, PO BOX 19395-3697, Tehran, Iran
author
Masoud
Kazem-Rostami
Young Researchers Club, Takestan Branch, Islamic Azad University, Takestan, Iran
author
text
article
2014
eng
In this work, efficient synthesis of 9-aryl-1,8-dioxo-octahydroxanthene derivatives from 1,3-cyclohexanediones and arylaldehydes in the presence of catalytic amount of melamine trisulfonic acid (MSTA) is described. The reaction is studied under thermal (solvent-free/80 °C),microwave (solvent-free/180 W/90 °C) and ultrasound (solvent/34-37 kHz/350 W/60 °C) conditions.
Scientia Iranica
Sharif University of Technology
1026-3098
21
v.
6
no.
2014
2049
2058
https://scientiairanica.sharif.edu/article_3597_b2d6e7a180bf7c0abfb4e040e233e574.pdf
Citric acid as an ecient and trifunctional organo catalyst for one-pot synthesis of new indolenines by Fischer's method at reflux condition in ethanol
M.A.
Zolfigol
Faculty of Chemistry, Bu-Ali Sina University, Hamedan, P.O. Box 6517838683, Iran
author
S.
Sajjadifar
Department of Chemistry, Payame Noor University, Tehran, P.O. Box 19395-4697, Iran.
author
Gh.
Chehardoli
Department of Medicinal Chemistry, School of Pharmacy, Hamadan University of Medical Sciences, Zip Code 65178, Hamadan, Iran
author
N.
Javaherneshan
Faculty of Chemistry, Bu-Ali Sina University, Hamedan, P.O. Box 6517838683, Iran
author
text
article
2014
eng
New indolenines I(1-18) were prepared by Fischer indole synthetic reaction of hydrazines derivatives H(1-6) with isoproylmethylketone K1, 2-methylcyclohexanone K2 and diisopropyl ketone K3 in presence of citric acid as a new catalyst at reflux condition in high yield.
Scientia Iranica
Sharif University of Technology
1026-3098
21
v.
6
no.
2014
2059
2065
https://scientiairanica.sharif.edu/article_3598_affa6bf5b58a3e104f8906613906affb.pdf
Removal of Novacron black dye from aqueous solutions using low cost agricultural waste: Batch and fixed bed study
S.
Nawaz
Department of Chemistry, Government College University, Faisalabad-38000, Pakistan.
author
H.N.
Bhatti
Environmental Chemistry Laboratory, Department of Chemistry, University of Agriculture, Faisalabad 38040, Pakistan
author
T.H.
Bokhari
Department of Chemistry, Government College University, Faisalabad-38000, Pakistan
author
S.
Sadaf
Environmental Chemistry Laboratory, Department of Chemistry, University of Agriculture, Faisalabad 38040, Pakistan
author
text
article
2014
eng
The present study deals with the removal of Novacron Black dye with peanutpeels biomass, a low cost agricultural waste. The batch mode experiments were performed to compare the biosorption potential of selected biosorbent in its native, glutaraldehydetreated and immobilized form. Experiments were conducted as a function of pH, biosorbent dose, contact time, initial dye concentration and temperature. Glutaraldehyde-treated biomass exhibited better biosorption capacity as compared to the native and immobilized peanut peels. Maximum biosorption capacity (37.1 mg/g) of Novacron Black dye by peanut peels was observed at pH 2 using 0.05 g biosorbent. Equilibrium data were analyzed by Langmuir, Freundlich and Temkin isotherm models. Langmuir isotherm model tted very well to the equilibrium data. The kinetic data was modeled using pseudo-rst-order, pseudo-second-order and intra-particle diusion models. Negative values of G depicted the spontaneous nature of biosorption process. Column studies were performed to optimize the bed height, flow rate and initial dye concentration. The results revealed that the best biosorption was achieved at greater bed heights, lower flow rates and higher initial dye concentrations. Bohrat-Adams model tted very well to the column data of Novacron Black dye biosorption onto peanut peels biomass.
Scientia Iranica
Sharif University of Technology
1026-3098
21
v.
6
no.
2014
2066
2075
https://scientiairanica.sharif.edu/article_3599_da0fa790cb4863180e5749bba898181a.pdf
Sodium alginate: A renewable and very effective biopolymer catalyst for the synthesis of 3,4-dihydropyrimidin-2(1H)-ones
Hamed
Daemi
Young Researchers and Elites Club, Tehran North Branch, Islamic Azad University, P.O. Box 15655-461, Tehran, Iran
author
Reza
Rezaieyeh Rad
School of Chemistry, University College of Science, University of Tehran, PO Box 14155-6455, Tehran, Iran
author
Mehdi
Adib
School of Chemistry, University College of Science, University of Tehran, PO Box 14155-6455, Tehran, Iran
author
Mehdi
Barikani
Department of Polyurethanes & Advanced Materials, Faculty of Polymer Science, Iran Polymer & Petrochemical Institute, PO Box 14965-115, Tehran, Iran
author
text
article
2014
eng
A convenient and mild methodology is described for the preparation of 3,4-dihydropyrimidin-2(1H)-ones in the presence of sodium alginate as the biopolymer catalyst. The sodium alginate was found as a novel, very mild, recyclable, efficient, eco-friendly and very noteworthy biopolymer catalyst
Scientia Iranica
Sharif University of Technology
1026-3098
21
v.
6
no.
2014
2076
2081
https://scientiairanica.sharif.edu/article_3600_5339ab4f7ae2c4067c2e9d2307a46f41.pdf
Mn(III) complex catalyzed agreen synthesis of 2-amino-4H-chromen-5(6H)-onesin basic aqueous solution at ambient temperature
Elaheh
Mosaddegh
Department of New Materials, Institute of Science and High Technology and Environmental Sciences, Graduate University of Advanced Technology, PO Box 76315-117, Kerman, Iran
author
Asadollah
Hassankhani
Department of New Materials, Institute of Science and High Technology and Environmental Sciences, Graduate University of Advanced Technology, PO Box 76315-117, Kerman, Iran
author
text
article
2014
eng
An efficient and environmentally friendly method for the synthesis of 2-amino-chromen-5(6H)-onesas important pharmaceutical compounds has been developed using [N,N'-bis(benzoylacetone)-1,2-ethylenediimine]Mn(III) chloride (2.5 mol%) as a heterogeneous and inorganic catalyst. A mixture of an appropriate aldehyde, malononitrile and dimedone in the presence of a catalytic amount of Mn(III) complex resulted in excellent yields (95-100%) of the corresponding products at ambient temperature. This new methodology is of interest due to use of water as a green solvent, its short reaction time, high yields and no further purification
Scientia Iranica
Sharif University of Technology
1026-3098
21
v.
6
no.
2014
2082
2086
https://scientiairanica.sharif.edu/article_3601_05e9dff3cc08b9e7e7f75465057fc670.pdf
A New Segmental Local Composition Model for Calculation Thermodynamic Properties of Binary Polymer Solutions
Ali
Haghtalab
Department of Chemical Engineering, Tarbiat Modares University, P.O. Box: 14115-143, Tehran, Iran
author
Abolfazl
Shojaeian
Department of Chemical Engineering, Tarbiat Modares University, P.O. Box: 14115-143, Tehran, Iran
author
Elham
Ebrahimiaqda
Department of Chemical Engineering, Tarbiat Modares University, P.O. Box: 14115-143, Tehran, Iran
author
text
article
2014
eng
A new local composition model, Segmental-Wilson Non-Random Factor (S-Wilson-NRF), based on volume fraction is developed. The new activity coefficient model consists of combinatorial and residual terms that the combinatorial Flory-Huggins equation and the S-Wilson-NRF function are used for the entropy and enthalpy terms, respectively. This model for non-polymeric systems reduces to Nonelectrolyte-Wilson-NRF model. The present model with two dependent adjustable energy parameters is applied to correlation of the activity of solvent for 24 binary polymer systems at various number-average molar masses of polymer and temperatures. Moreover, the results of the present model are compared with the other local composition models such as Nonrandom Two-Liquid (NRTL), NRTL-Nonrandom Factor (NRTL-NRF) models and the Flory-Hugginsmodel. Finally, the new model is applied for correlation of the excess molar enthalpy of the binary polymer solutions at the different conditions. As a conclusion, the results of the new model are in good agreement with the experiment.
Scientia Iranica
Sharif University of Technology
1026-3098
21
v.
6
no.
2014
2087
2097
https://scientiairanica.sharif.edu/article_3602_4cdb9722937a759b244b09635fe53188.pdf
Effects of fuel-borne catalysts on kinetics of oxidation of diesel soot generated by pre-mixed pre-vaporized flame
A.
Rouhi
Catalysis and Nanostructured Materials Research Laboratory, School of Chemical Engineering, College of Engineering, University of Tehran, Tehran, P.O. Box 11155/4563, Iran
author
H.
Kazerooni
Catalysis and Nanostructured Materials Research Laboratory, School of Chemical Engineering, College of Engineering, University of Tehran, Tehran, P.O. Box 11155/4563, Iran.
author
Y.
Mortazavi
Catalysis and Nanostructured Materials Research Laboratory, School of Chemical Engineering, College of Engineering, University of Tehran, Tehran, P.O. Box 11155/4563, Iran
author
A.A.
Khodadadi
Catalysis and Nanostructured Materials Research Laboratory, School of Chemical Engineering, College of Engineering, University of Tehran, Tehran, P.O. Box 11155/4563, Iran
author
text
article
2014
eng
This work reports on the synthesis, characterization and application of organometallic complexes as Fuel Borne Catalysts (FBC). Cerium 2-ethylhexanoate, iron 2- ethylhexanoate and copper 2-ethylhexanoate were used as FBCs. Due to their hydrophobic character, these complexes can be easily solubilized in diesel fuel and converted to metal oxides particles, which eciently catalyze the oxidation of diesel soot, also known as Particulate Matter (PM). An experimental setup (pre-mixed pre-vaporized ame) was designed and constructed to study the eects of a fuel borne catalyst on the oxidation properties of particulate matter. To better understand the role of metal complexes on soot oxidation, the kinetics of oxidation of metal-containing soot particles was measured. To do this, particulate matter was generated by spraying the catalyst containing the solution and diesel fuel into a mixing chamber. Dierent concentrations of Fe, Ce and Cu complexes were added to the fuel. The oxidation temperature was reduced by 116C for the case of 50 ppm Fe, a very important factor in the regeneration of diesel particulate lters. However, an unexpected increase in activation energies was seen. This happens when the process becomes less endergonic with the addition of dierent sources of FBC. It was also observed that the presence of an iron complex in fuel signicantly decreased CO emission during soot oxidation.
Scientia Iranica
Sharif University of Technology
1026-3098
21
v.
6
no.
2014
2098
2106
https://scientiairanica.sharif.edu/article_3603_0046912e59ae183fe264acdc34dda957.pdf
Numerical Study of the Agglomerates Dispersion Behavior in Shear and Elongational Flow Fields in Viscous Media Using Population Balance Modeling (PBM)
Amir
Afshar
Institute of Polymeric Materials, Department of Polymer Engineering, Sahand University of Technology, SUT, P.O. Box 51335-1996, Tabriz, Iran
author
Mahdi
Salami Hosseini
Institute of Polymeric Materials, Department of Polymer Engineering, Sahand University of Technology, SUT, P.O. Box 51335-1996, Tabriz, Iran
author
Ehsan
Behzadfar
Department of Polymer Engineering, Amirkabir University of Technology, AUT, Tehran, Iran
author
text
article
2014
eng
In particulate systems, formation and fragmentation of agglomerates/aggregates are the major phenomena in the case of dynamic processing of suspensions. In the present work, the dispersion of the agglomerates was studied in shear flow fields (SFF) and elongational flow fields (EFF) using population balance Method. Since there is no direct data on EFF, predicted data obtained through Discrete Element Method was used to obtain a proper break-up kernel for EFF. So, a power-law break-up kernel was proposed for EFF and an exponential one was considered for SFF. It was shown that increasing the intensity of deformation rate in both flow fields, sped upthe break-up process and the mean aggregates/agglomerates sizes shift toward the finer flocs. This effect was more pronounced for SFF showing more sensitivity to the deformation rate. It was concluded that because of the ability of EFF in agglomerate break-up, it would break the agglomerates even in lower deformation rate. Since agglomerate could rotate in SFF, the final agglomerate size would show more dependency on the deformation rate. Results depicted that EFF leads to broader agglomerate size distribution in comparison with SFF. The final fragment size showed more dependency to the agglomerates structure in SFF compared to EFF.
Scientia Iranica
Sharif University of Technology
1026-3098
21
v.
6
no.
2014
2107
2115
https://scientiairanica.sharif.edu/article_3604_e191945c76ed8d965ee7f185d1e96ca0.pdf
Lattice Boltzmann relative permeability for CO2-brine system in a 2D porous medium
S.
Mahmoudi
Ahwaz Faculty of Petroleum, Petroleum University of Technology, Ahwaz, Iran
author
A.
Hashemi
Ahwaz Faculty of Petroleum, Petroleum University of Technology, Ahwaz, Iran
author
Sh.
Kord
Department of Reservoir Engineering, National Iranian South Oil Company, Ahwaz, Iran
author
text
article
2014
eng
CO2 sequestration is a pretty new eld with little relevant published data considering the relative permeability of CO2-brine systems at in-situ conditions. Precise determinations of relative permeability data in gas injection experiments are difficult and expensive; also, several factors aect the accuracy. In this paper, to predict CO2- brine relative permeability curves, a Shan-Chen type multi-component multiphase lattice Boltzmann model for two-phase flow for a 2D porous medium was developed. Fully periodic and ull-way" bounce back boundary conditions were applied to the model to get innite domain of fluid with non-slip solid nodes. Incorporation of an external body force was performed by the Guo scheme. The influences of pore structure and capillary number on relative permeability curves were studied in order to establish realistic conditions for investigation of CO2-brine relative permeabilities. The corrected relative permeability curves for pore structure and capillary number were tangibly in agreement with experimental data.
Scientia Iranica
Sharif University of Technology
1026-3098
21
v.
6
no.
2014
2116
2125
https://scientiairanica.sharif.edu/article_3605_a189cfd204286acef920757cc96b6d0b.pdf