Sharif Digital Repository

We investigate the effects of topological constraints in catenanes composed of interlinked ring polymers on their size in a good solvent as well as on the location of their θ-point when the solvent quality is worsened. We mainly focus on poly[n]catenanes consisting of n ring polymers each of length m interlocked in a linear fashion. Using molecular dynamics simulations, we study the scaling of the poly[n]catenane's radius of gyration in a good solvent, assuming in general that Rg ∼ mμnν and we find that μ = 0.65 ± 0.02 and ν = 0.60 ± 0.01 for the range of n and m considered. These findings are further rationalized with the help of a mean-field Flory-like theory yielding the values of μ =... 

Deep eutectic solvents (DESs), surmised as "the organic reaction medium of the century", have reverberated a new symphony throughout the present green millennium. A brief historical account of the DES systems and their physicochemical properties as task-specific and designer solvents for cross-coupling reactions are appraised including the hole theory that explains the underlying mechanistic pathway for this emerging neoteric medium. The insights into cross-coupling reactions and their applications are included, highlighting the significant achievements pertaining to the dual role of DESs as a solvent and catalyst. In addition, popular "name-reactions"for the carbon-carbon and... 

In this work, the vapour extraction (VAPEX) process is studied experimentally in a rectangular physical model at moderate-high pressure. The solvent was either pure propane or a mixture of propane/ methane with different compositions. The solvent and carrier gas were totally mixed before injection, so that a solvent with the desired composition flowed through the injector during experiments, and the solvent mixture was in thermodynamic equilibrium before injection into VAPEX cell. Effects of pressure and composition of solvent were studied. Results showed that at a fixed pressure, the process is more effective with pure solvent compared to the use of solvent mixtures. The main feature of... 

In this work, the synthesis, characterization, and kinetic investigation of the free-radical polymerization of 4-acetylaminobenzene propenoic ester (ABPE) and 4-methylbenzene propenoic ester (MBPE) were studied. The kinetic behaviors of ABPE and MBPE in the polymerization initiated by azobisisobutyronitrile in dimethylformamide solutions at temperatures between 50 and 120°C were investigated, and experimental and theoretical conversion-time curves were compared. Both monomers showed a polymerization ceiling temperature (T c ). Tc was calculated with experimental values of k pk1/2 with a constant concentration of 0.7 mol/L for monomers. Tc was about 141 and 131 °C for ABPE and MBPE,... 

The solvatochromic parameters (ETN, normalized polarity parameter; π*, dipolarity/polarizability; β, hydrogen-bond acceptor basicity; α, hydrogen-bond donor acidity) were determined for binary solvent mixtures of 1-(1-butyl)-3-methylimidazolium tetrafluoroborate ([bmim]BF4) with water, methanol, and ethanol at 25°C over the whole range of mole fractions. In nonaqueous solutions, the ETN value of the mixture increases with mole the fraction of [bmim]BF4 and then decreases gradually to the value of pure [bmim]BF4. Positive deviation from ideal behavior was observed for the solvent parameters ETN, π*, and α, whereas the deviation of the β parameter is negative. The applicability of the combined... 

This paper presents a new segment-based thermodynamic model containing the combinatorial and energetic contributions to the excess Gibbs energy for correlating/predicting of the vapor-liquid equilibrium (VLE) of polymer solutions. The model is derived from the UNIQUAC-NRF model, recently proposed by Haghtalab and Asadollahi, following the idea to associate the nonideality of polymer-solvent mixture with polymer segment-solvent interaction parameters, Segment activity coefficients are calculated by means of the UNIQUAC-NRF model. At the present state of development, 16 binary segmental interaction parameters have been estimated, The capability of the model is demonstrated with successful... 

A chemoselective synthesis of tetraketone and xanthene derivatives, by means of tandem Knoevenagel condensation and Michael addition in choline chloride-based deep eutectic solvents (DESs), is presented. The reaction of readily available aldehydes and active methylene compounds in malonic acid- and ZnCl2-based DES gives various xanthenes derivatives with good to excellent yields under mild reaction conditions. On the other hand, tetraketones were synthesized in almost quantitative yields by simple condensation of an aldehyde and active methylene compounds in milder deep eutectic solvents of urea and SnCl2. In addition, the reaction of other types of choline chloride-based DES leads to a... 

An experimental study was conducted to investigate the extraction of oxidized sulfur compounds from gas oil. Solvents used for this purpose included acetone, acetonitrile, methanol and propanol. The effect of solvent concentration, solvent to gas oil ratio, temperature, time and number of stages was studied. To select the best solvent and conditions for extraction, two criteria were considered: high desulfurization and more hydrocarbon recovery. Results showed that extraction time and temperature have no significant effect. Methanol for low ability of extraction of oxidized sulfur compounds and propanol for low hydrocarbon recovery were excluded from further experiments. After the tests, the... 

Rice bran is one of the most important co-products in the rice milling. In this research, antioxidant activity of two Iranian rice bran varieties, Fajr and Tarem, extracted by three different solvents (methanol, ethanol and ethyl acetate) was evaluated. The order of antioxidant activity was evaluated by measurement of total phenolic content, antioxidant activity in linoleic acid system, reducing power and scavenging capacity by DPPH radical. The methanolic extract of Fajr rice bran showed a total phenolic content of 3.31 mg Gallic acid/gr rice bran and a DPPH free radical-scavenging activity of 93.91%, achieved at 50 mg/ml concentration, and a percent inhibition of linoleic acid peroxidation... 

TiO2 nanoparticles were synthesized by sol-gel method using titanium tetraisopropoxide. Sulfate ions were introduced on the titania by impregnation method using sulfuric acid as precursor of sulfate ions. Fourier transform infrared and energy-dispersive X-ray spectroscopy, X-ray fluorescence as well as X-ray diffraction, scanning electron microscopy, and BET methods were used for the characterization of the obtained nanoparticles. The esterification of isoamyl alcohol with acetic acid was investigated to prove the catalytic activity of the TiO2 nanoparticles under solvent-free conditions. Response surface methodology was applied to optimize the effect of some parameters such as the molar... 

The solvent-based process appears to be an increasingly feasible technology for the extraction of heavy oil reserves. However, there is a lack of fundamental understanding of how fracture geometrical characteristics control the oil recovery efficiency in this type of enhanced oil recovery (EOR) technique. In this work, a series of experiments were performed whereby the pure and mixed hydrocarbon solvents (HCS) displaced heavy oil in fractured five-spot glass micro-models. Successive images of the solvent injection process were recorded. The oil recovery factor, as a function of injected pore volume of solvents, was measured using image analysis of the provided pictures. It has been observed... 

Despite numerous experimental studies, there is a lack of fundamental understanding on how the chemical composition of a co-solvent at different wettability conditions might affect the pore-scale events and oil recovery efficiency in 5-spot models. In this study visualization of solvent injection experiments performed on a one-quarter five spot glass micromodel, which was initially saturated with the crude oil. One hydrocarbon solvent was considered as base, and four other groups of commercial chemicals, as well as their mixtures, were used as co-solvents. Microscopic and macroscopic displacement efficiency of solvent mixtures in both strongly water-wet and oil-wet media has been studied. It... 

Synthesis and characterization of Nafion/TiO2 membranes (TiO2 1 wt%) with different solvents (DMF, DMAc, NMP) for proton exchange membrane operating at Microbial Fuel Cell (MFC) was investigated in this study. Nanocomposite membranes are studied due to their better physical properties and higher production voltage in comparison with Nafion 112 in MFC systems. Nafion/TiO2 nanocomposite membranes were prepared by solution casting Method. The structures of membranes were investigated by Scanning Electron Microscopy (SEM). In addition, water uptake, proton conductivity, and ion exchange capacity (IEC) of membranes were measured and compared with Nafion 112 in microbial fuel cell. The... 

Afacile, seed-less and one-pot method was developed for synthesis of gold nanoflowers with multiple tips through reduction of HAuCl4 with deep eutectic solvent at room temperature. This solvent is ecofriendly, low-cost, non-toxic and biodegradable and can act as both reducing and shape-controlling agent. In this protocol, highly branched and stable gold nanoflowers were obtained without using any capping agent. The obtained products were characterized by different techniques including, field emission scanning electron microscopy, transmission electron microscopy, x-ray diffraction andUV-vis spectroscopy. The as-prepared gold nanoflowers exhibit efficient surface-enhanced Raman scattering...