Sharif Digital Repository

The behaviour of solvatochromic absorbance probes (4-nitroaniline, 4-nitroanisole, and Reichardt's dye) within binary mixtures of polyethylene glycol p-(1,1,3,3-tetramethylbutyl)-phenyl ether (Triton X-100 or TX-100)/organic solvents (2-propanol, hexanol, butyl acetate, THF, toluene, and p-xylene) was extensively explored by using solvatochromism and the quantum theory of atoms in molecules (QTAIM). To be more precise, the polarity parameters, ET N, and Kamlet-Taft parameters, such as the hydrogen bond donor ability (HBD) (α), hydrogen bond acceptor ability (HBA) (β), and dipolarity/polarizability (π∗), have been investigated in selected mixtures at 298 K. All binary mixtures exhibit complex... 

All current highest efficiency perovskite solar cells (PSCs) use highly toxic, halogenated solvents, such as chlorobenzene (CB) or toluene (TLN), in an antisolvent step or as solvent for the hole transporter material (HTM). A more environmentally friendly antisolvent is highly desirable for decreasing chronic health risk. Here, the efficacy of anisole (ANS), as a greener antisolvent for highest efficiency PSCs, is investigated. The fabrication inside and outside of the glovebox showing high power conversion efficiencies of 19.9% and 15.5%, respectively. Importantly, a fully nonhalogenated solvent system is demonstrated where ANS is used as both the antisolvent and the solvent for the HTM.... 

In this paper multivariate response surface methodology (RSM) has been used for the optimization of hydrodistillation-headspace solvent microextraction (HD-HSME) of thymol and carvacrol in Thymus transcaspicus. Quantitative determination of compounds of interest was performed simultaneously using gas chromatography coupled with flame ionization detector (GC-FID). Parameters affecting the extraction efficiency were assessed and the optimized values were 5 min, 2 μL and 3 min for the extraction time, micro-drop volume and cooling time after extraction, respectively. The amounts of analyte extracted increased with plant weight. The calibration curves were linear in the ranges of 6.25-81.25 and... 

A mild and practically-convenient one-pot procedure for the direct Mannich reaction has been developed using a condensation of amines, aldehydes and unmodified ketones under solvent free conditions in the presence of Znl 2 with good to excellent yields. The present methodology offers several advantages, such as excellent yields, simple procedures, short reaction times and milder conditions with very small amounts of catalyst. Furthermore, it is the first time that the catalytic activity of several catalysts under solvent free conditions has been studied. It was found that both the diastereoselectivity and the rate of reaction were improved with various Lewis acids and metal oxides. However,... 

In this article, we report the first multiwalled carbon nanotube-polyelectrolyte gel containing vinylimidazolium-typed ionic liquid monomer as an absorbent of less-polar or nonpolar organic solvents. To prepare such MWCNT-polyelectrolyte gel, the modified MWCNTs with polymerizable vinyl groups on their surfaces were prepared and then underwent copolymerizations with dodecyl methacrylate and vinylimidazolium in the presence of AIBN as initiator, yielding a cross-linked polyelectrolyte. In order to estimate the compatibility between the solvents and the polymers, a series of vinylimidazolium-typed ionic liquid monomers ([Cnvim][X]) with different alkyl tail length (C6, C10 and C12) and counter... 

Asphaltenes are a polydisperse fraction of the crude oil, the phase behavior of which is significantly affected by the changes in pressure, temperature and composition. The focus of this study is to model the polydisperse asphaltenes' precipitation onset condition and the amount of precipitate from solvent-diluted crude oils using the Perturbed Chain form of the Statistical Associating Fluid Theory (PC-SAFT) over a wide range of crude oil density. Heavy oil and bitumen production can involve diluting with paraffinic solvents. Different fractions of the polydisperse asphaltenes thus precipitated are predicted and when compared to the experimental data show a remarkable matching for different... 

In this work, a series of solvent- and water-injection scenarios were conducted on horizontal five-spot glass micromodels that were saturated initially with heavy oil. Sandstone and limestone rock look-alike and network patterns with different pore structures were used in the experiments. The results show that the ultimate oil recovery of a water-alternating-solvent (WAS) scheme was greater than that of a simultaneously water-alternating-solvent (SWAS) scheme, and the efficiency of a solvent-soak scheme also offers a greater recovery. Likewise, the WAS scheme resulted in greater oil recovery when compared with continuous solvent injection (CSI), with the same amount of solvent consumption.... 

The reaction kinetics of 2-bromo-5-nitro thiophene with piperidine was studied in a solvent with a mixture of propan-2-ol with methanol and n-hexane at 25°C. The measured rate coefficients of the reaction demonstrated dramatic variations in propan-2-ol-n-hexane mixtures and mild variations in propan-2-ol-methanol system. The second-order rate coefficients of the reaction, kA, decreased sharply with n-hexane content. The multiparameter correlation of log kA versus molecular-microscopic solvent parameters shows interesting results in these solutions. Linear free energy relationship investigations confirm that polarity has a major effect on the reaction rate and hydrogen bond ability of the... 

Polyaniline nanofiltration membranes were synthesized to examine a potential candidate for application of solvent recovery from lube oil. An integrally skinned polyaniline membrane was cast on a woven polyester fabric and then was chemically crosslinked with glutaraldehyde in order to further increase the membranes resistant in a methyl ethyl ketone and toluene mixture. Subsequently, membrane performance was tested under different operational conditions. The operation pressure was fixed at 35 bar and was held constant for all of the tests. The membrane demonstrated a permeate flux of 10 l/(m2 h) and oil rejection of 69%. Abbreviations: PANi: Polyaniline; PI: polyimide; MEK: methyl ethyl... 

Polyaniline nanofiltration membranes were synthesized to examine a potential candidate for application of solvent recovery from lube oil. An integrally skinned polyaniline membrane was cast on a woven polyester fabric and then was chemically crosslinked with glutaraldehyde in order to further increase the membranes resistant in a methyl ethyl ketone and toluene mixture. Subsequently, membrane performance was tested under different operational conditions. The operation pressure was fixed at 35 bar and was held constant for all of the tests. The membrane demonstrated a permeate flux of 10 l/(m 2  h) and oil rejection of 69%. Abbreviations: PANi: Polyaniline; PI: polyimide; MEK: methyl ethyl... 

Low accuracy, requirement of expensive instruments, derivatization and multi-step sample preparation, inconsistencies during the fabrication process, time-consuming procedures and utilization of eco-unfriendly chemicals are some limitations of various developed methods for detection of 4-methylimidazol (4-MeI). Herein, a rapid and miniaturized fluorescent probe based on the ultrasound‒assisted formation of carbon dots (CDs) in a metallic deep eutectic solvent (MDES) was developed and conveniently implemented to detect 4-MeI in commercial dark soft drinks. In-situ synthesis of CDs-chelated metals in the presence of the target analyte facilitates a kinetically fluorescence emission with no... 

The present article deals with super-swelling behavior of crosslinked homopolymer of 2-acrylamido-2-methylpropane sulfonic acid, poly(AMPS), in binary mixtures of dimethyl sulfoxide (DMSO) and various polar solvents including water, mono-, and polyhydric alcohols, and amide solvents such as N-methyl pyrrolidone. Extraordinary phase transition sequences including a new unusual swelling phenomenon, referred to as "overentrant" swelling, was observed for this polymeric organogel in the solvent/DMSO mixtures. The swelling behaviors were preliminarily explained based on the major interactions involved in the solvation process and dielectric constant of the swelling media. It was established that... 

The reaction kinetics of 2-bromo-5-nitro thiophene with piperidine was studied in a solvent with a mixture of propan-2-ol with methanol and n-hexane at 25°C. The measured rate coefficients of the reaction demonstrated dramatic variations in propan-2-ol–n-hexane mixtures and mild variations in propan-2-ol–methanol system. The second-order rate coefficients of the reaction, kA, decreased sharply with n-hexane content. The multiparameter correlation of log kA versus molecular-microscopic solvent parameters shows interesting results in these solutions. Linear free energy relationship investigations confirm that polarity has a major effect on the reaction rate and hydrogen bond ability of the... 

A new and convenient format of single drop microextraction (SDME) was developed and applied for isolation of some selected aryloxyphenoxypropionate herbicides from aquatic media. In contrast to the conventional SDME procedure, in this set-up the extraction microdrop was positioned at the bottom of a conical vial in order to provide much higher stability for the organic extraction phase while a magnetic bar was used for stirring the aqueous solution. A simple magnet was used for positioning the bar on the top of the microdrop prior to stirring. The whole set-up led to the use of any volume of extraction solvent with unlimited stirring rates. Some important extraction parameters such as the... 

In the present work, a novel microextraction method named in situ solvent formation microextraction (ISFME) using ionic liquids (ILs) for preconcentration of carbaryl and carbofuran in water samples is introduced. In this method, a small amount of sodium hexafluorophosphate (NaPF6), as an ion pairing agent, was added to a sample solution containing a small quantity of 1-hexyl-3-methylimidazolium tetrafluoroborate [Hmim][BF4] as a hydrophobic ionic liquid. A cloudy solution formed as a result of formation of fine droplets of 1-hexyl-3-methylimidazolium hexafluorophosphate [Hmim][PF 6]. After centrifugation, the fine droplets of the extractant phase settled to the bottom of the conical-bottom... 

In this work a series of hydrocarbon solvent injection experiments was performed on glass micromodels with different throat orientations that were initially saturated with crude oil at several fixed flow rate conditions. The solvent concentration as a function of location and time was measured using image analysis of color intensity of continuously provided pictures during the injection process. The provided concentration calibration curve of solvent in crude oil was used for back-calculating the solvent concentration along the dispersion zone. The longitude and transverse dispersion coefficients were determined by fitting the results of the mathematical model to the experimental data. It... 

An experimental study was conducted on the desulfurization of non-hydrotreated kerosene with oxidation followed by liquid-liquid extraction. Various types of solvents including acetonitrile, methanol, and ethanol have been examined in the extraction of oxidized sulfur-containing compounds of kerosene. The performance of these solvents has been carefully examined and compared. It was found that their performance follows the order: acetonitrile > methanol > ethanol. The effects of number of extraction stages and solvent to kerosene ratio on the desulfurization and recovery of kerosene have been investigated. The experimental results show that for all three solvents, solvent/kerosene ratio and... 

The objective of this study was to investigate the synergistic effect of TBP on the system D2EHPA/kerosense/M2+ with respect to the extraction of some transitional metals. Although the presence of M2EHPA as an impurity in D2EHPA shifts the extraction curves to lower pH, empirical results show that the extraction curves shift to the right due to the addition of TBP and the counterbalance effect of M2EHPA. The results indicate that the equivalent concentration of D2EHPA decreases as a function of concentration of TBP because of the formation of hydrogen bonds between TBP and D2EHPA. Based on this finding, the D2EHPA equivalent concentration was determined by using a modifying factor for TBP...