Sharif Digital Repository

The reaction kinetics and chemical equilibrium of the reversible catalytic hydrolysis reaction of a methyl acetate to acetic acid and methanol using a strongly acidic ion exchange resin catalyst named Amberlyst 15 were studied. To investigate the different behavior of Amberlyst 15 in the adsorption of reactants and product species, the equilibrium behavior of binary non-reactive liquid mixtures, consisting of one reactant and one product were studied experimentally. The Langmuir model was used to describe the equilibrium condition, quantitatively. Then the employed model was compared with the more complicated thermodynamic models to describe the equilibrium between the catalytic polymer... 

This paper deals with mathematical modeling and simulation of methanol carbonylation reactor in acetic acid production plant that consisted of a continuous stirred tank reactor (CSTR), a flash drum, a Joule-Thomson valve, and a condenser. The model was based on material and energy balances that considered liquid-gas mass transfer, thermodynamics, and reactor hydrodynamics. The most important aspect of the model was the selection of an appropriate correlation for prediction of mass transfer coefficient. Several correlations were examined and comparison of the model results with plant data indicated that the correlation reported by Lemoine was most appropriate. The simulation results were... 

Metal-free D–D–π–A type dyes (i.e., Car-Cy, Car-Rh, Dpa-Cy, and Dpa-Rh) were designed and synthesized for dye-sensitized solar cells (DSSCs). In the structure of the sensitized dyes, an imidazole ring is connected to a carbazole or diphenylamine moiety as a donor while cyanoacetic acid or rhodanine-3-acetic acid was introduced as an acceptor/anchor. The molecular structures of D–D–π–A type dyes were characterized using IR, NMR and MS spectral data. The optical, electrochemical, theoretical, light harvesting property, HOMO/LUMO levels, redox behavior, and photovoltaic properties of the synthesized dyes were evaluated. Among the fabricated photovoltaic devices based on the prepared dye, Dpa-Cy... 

Acyclic and cyclic acetates of various alcohols and phenols were obtained in excellent yields under mild reaction conditions in the presence of a catalytic amount of sodium hydroxide under solvent-free conditions and microwave irradiation. Selective deprotection of acetate group from the corresponding phenolic compounds was carried out in the presence of LiClO4· 2H2O. Copyright © Taylor & Francis, Inc  

TiO2–graphene (TiO2–GR) nanocomposites were synthesized using photocatalytic reduction method. TiO2–GR nanocomposites were thereafter doped with noble metals (Pt and Pd) by chemical reduction of the corresponding cations. The samples were characterized by different techniques. The addition of GR to TiO2 decreases the crystalline size of TiO2 due to the homogeneous dispersion of the TiO2 nanoparticles on GR sheets and prevention of coagulation of TiO2 nanoparticles during synthesis process. In addition, the surface area of TiO2 was increased by addition of GR and deposition of noble metals which helps to prevent agglomeration of graphene sheets and TiO2 nanoparticles. Red shifts to the higher... 

Acetic acid is one of the most important petrochemical products. Carbonylation of methanol in homogenous phase is one of the major routes for production of acetic acid. Amongst group VIII metal catalysts used in this process iridium has displayed the best capabilities. To investigate effect of operating parameters like: temperature, pressure, methyl iodide, methyl acetate, iridium, ruthenium, and water concentrations on the carbon dioxide formation, experimental design for this system based upon central composite design (CCD) was utilized. Statistical carbon dioxide formation equation developed by this method contained individual, interactions and curvature effects of parameters on the... 

The main challenge in many applications of acetic acid is acid dehydration and its recovery from wastewater streams. Therefore, the performance of polyamide thin film composite is evaluated to separate acetic acid from water. To reach this goal, the formation of polyamide layer on polysulfone support membrane was investigated via interfacial polymerization (IP) of meta-phenylenediamine (MPD) in water with trimesoyl chloride (TMC) in hexane. Also, the effect of synthesis conditions, such as concentration of monomers and curing temperature on separation of acetic acid from water were investigated by reverse osmosis process. Moreover, the separation mechanism was discussed. The solute... 

In the current investigation, four novel donoracceptor type organic dyes including (DPA-Ba, DPA-Hy, DPA-Rh, DPA-Cy), are proposed and their photophysical and electrochemical properties as well as dye-sensitized solar cell performance are systematically investigated. Among these dyes diphenylamine is utilized as an-electron donor while barbituric acid, hydantoin, rhodanine-n-acetic acid and cyano acetic acid, are proposed as anchoring groups as dye-sensitized solar cells (DSSCs). The synthesized dyes are characterized using FT-IR, NMR, mass spectrometry, absorbance and electrochemical measurements. The photophysical, electrochemical and photovoltaic properties of the solar cells based on... 

The impact of modified magnetite nanoparticles (MMNPs)on hydrodynamics and mass transfer in liquid–liquid extraction process was assessed using a ternary chemical system of toluene-acetic acid–water. The organic phase which contained toluene and acetic acid was dispersed through water, and the mass transfer of acetic acid between two phases was investigated. The hydrophobic modified magnetite nanoparticles (MMNPs)prepared through an optimized in-situ method were added to the dispersed phase at different concentrations (0.001−0.005 wt%). Two separate conditions were provided in the experiments, i.e. stagnant and stirred continuous phase. The latter case was provided by a rotor at two... 

Indoline-2-thiones (5) were applied as 1,3-dinucleophiles in a tandem reaction with Baylis-Hillman adduct acetates (4) to give novel tetrahydrothiopyrano[2,3-b]indole skeletons (6). The effect of different solvents, bases, and catalysts on the yields and stereochemical outcome was studied in detail. The results indicated that acetonitrile as solvent and K 2CO3 as base, under reflux conditions, were the optimum conditions. Products 6a-6l were obtained in high diastereoselectivity and yield (up to 94%)  

The granular activated carbon (GAC) was used as an adsorbent for its ability to remove haloacetic acids (HAAs) from drinking water by batch and column experiments. Various thermodynamic parameters, such as ΔG°, ΔH° and ΔS° have been calculated. The thermodynamics of HAAs onto GAC system indicates spontaneous and exothermic nature of the process. The ability of GAC to adsorb HAAs in a fixed bed column was investigated as well. The effect of operating parameters such as flow rate and inlet HAAs concentration on the sorption characteristics of GAC was investigated. The total adsorbed quantities, equilibrium uptakes and total removal percents of HAAs related to the effluent volumes were... 

The oxidative desulfurization of a real refinery feedstock (i.e., non-hydrotreated kerosene with total sulfur mass content of 0.16%) with a mixture of hydrogen peroxide and acetic acid was studied. The influences of various operating parameters including reaction temperature (T), acid to sulfur molar ratio (nacid/nS), and oxidant to sulfur molar ratio (nO/nS) on the sulfur removal of kerosene were investigated. The results revealed that an increase in the reaction temperature (T) and nacid/nS enhances the sulfur removal. Moreover, there is an optimum nO/nS related to the reaction temperature and the best sulfur removal could be obtained at nO/nS8 and 23 for the reaction temperatures of 25... 

In this article, droplet size and its distribution along a pulsed liquid-liquid extraction column, is studied where SiO2 nanoparticles with concentrations of 0.01, 0.05 and 0.1vol.% and different hydrophobicities are applied to the dispersed phase. Using ultrasonication, nanoparticles were dispersed in kerosene as the base fluid. Nanofluids' stability was ensured using a UV-vis spectrophotometer. Some 22,000 droplets were measured by photographic technique and results were compared with systems containing no-nanoparticles (Water-Acetic acid-Kerosene). Addition of nanoparticles changed the droplet shape from ellipsoidal to spherical. Also, there was a marked influence on droplet breakage and... 

In this study, a new model of microbial fuel cell (MFC) was obtained for the first time. The modeled MFC was made using a combination of two approaches; the conduction-based method and two-step anaerobic digestion. Performance of the MFC was based on calculations for current evolution and polarization curves with different subsequent variables of the biofilm and anolyte. The model was able to make predictions for performance of the MFC for a simple substrate to more complex ones. The model was successfully validated with a variety of substrates (acetate, glucose and dairy wastewater) and the results were compared with previously published measurements. The model polarization results showed... 

Liquid-liquid equilibrium (LLE) data, density, viscosity, and interfacial tension for the ternary system of toluene-acetic acid-water were measured at 298.15 K and 101.7 kPa. The Othmer-Tobias and the Hand correlations were used to check the reliability of the experimental tie-lines. Moreover, the distribution coefficient and the separation factor were explored. It was found from the experimental results that a maximum separation factor value happens at an acetic acid mass fraction of 0.02 in the organic phase. Density, viscosity, and interfacial tension were correlated using the appropriate correlations such that the predicted results have excellent agreement with the experimental data. The... 

TiO2-graphene (TiO2-GR) nanocomposites were synthesized using photocatalytic reduction method. TiO2-GR nanocomposites were thereafter doped with noble metals (Pt and Pd) by chemical reduction of the corresponding cations. The samples were characterized by different techniques. The addition of GR to TiO2 decreases the crystalline size of TiO2 due to the homogeneous dispersion of the TiO2 nanoparticles on GR sheets and prevention of coagulation of TiO2 nanoparticles during synthesis process. In addition, the surface area of TiO2 was increased by addition of GR and deposition of noble metals which helps to prevent agglomeration of graphene sheets and TiO 2 nanoparticles. Red shifts to the...