Sharif Digital Repository

The existence of structure for ionizing fast-strong and fast-weak detonation waves in magnetohydrodynamics are proved. The reactions are assumed to be one step exothermic reactions with a natural discontinuous reaction rate function. The problem is studied for a general gas, considering some general thermodynamics rules which described by a fairly mild set of hypotheses. The uniqueness and nonuniqueness of structure are also considered. © 2007 Elsevier Ltd. All rights reserved  

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... 

The efficiency of an acidizing operation is usually assessed through ordinary well testing methods. These methods are performed only after the acidizing operation, and it is difficult to monitor and evaluate real-time efficiency of acidizing operation. Understanding the performance of the acidizing during the service, by analysis of the acidizing data is a viable approach to this costly and challenging process. The estimation of the skin changes needs an appropriate mathematical method that can handle the main aspects of an acidizing operation. It is tedious to model a real acidizing operation due to the heterogeneity of the reservoir, an unknown reaction rate of acid in reservoir condition,... 

We present the kinetic parameters and equilibrium constant of the enzymatic glucose-fructose isomerization reaction with an immobilized glucose isomerase (IGI), Sweetzyme IT, using a batch stirred-tank reactor following the procedure developed by Dehkordi et al. (AIChE J. 2008, 54, 1333). The model predictions were compared with the experimental data and fair agreements were found. The influence of temperature on the equilibrium constant and kinetic parameters of glucose to fructose isomerization reaction was investigated. In addition, the frequency factors and the activation energies were determined by using Arrhenius-like expressions. Furthermore, correlations were found for the maximum... 

One of the main challenges in diffusion-based molecular communication is dealing with the non-linearity of reaction-diffusion chemical equations. While numerical methods can be used to solve these equations, a change in the input signals or the parameters of the medium requires one to redo the simulations. This makes it difficult to design modulation schemes and practically impossible to prove the optimality of a given transmission strategy. In this paper, we provide an analytical technique for modeling the non-linearity of chemical reaction equations based on the perturbation method. The perturbation method expresses the solution in terms of an infinite power series. An approximate solution... 

One of the main challenges in diffusion-based molecular communication is dealing with the non-linearity of reaction-diffusion chemical equations. While numerical methods can be used to solve these equations, a change in the input signals or the parameters of the medium requires one to redo the simulations. This makes it difficult to design modulation schemes and practically impossible to prove the optimality of a given transmission strategy. In this paper, we provide an analytical technique for modeling the non-linearity of chemical reaction equations based on the perturbation method. The perturbation method expresses the solution in terms of an infinite power series. An approximate solution... 

The synthesis of diamino triphenyl methanes from aniline and aromatic aldehydes was conducted in near critical water and supercritical water. The reaction parameters, such as temperature, density, and reaction time, have been studied. Significant acceleration of the condensation reaction of aniline and aromatic aldehydes can be achieved by using high temperature water, especially near the critical point, in the absence of any acid catalysts. It has been demonstrated that high temperature water act effectively in the place of conventional acid catalysts  

Originally, application of nano zero valent iron (nZVI) particles for the removal of lead (Pb2+) in porous media was studied. At first, stabilized nZVI (S-nZVI) was prepared and characterized, then used in batch and continuous systems. Based on the batch experiments, corresponding reaction kinetics well fitted with the pseudo-first-order adsorption model, and reaction rate ranged from 0.01 to 0.04 g/mg/min depend on solution pH and the molar ratio between Fe and Pb. In batch tests, optimal condition with more than 90% removal efficiency at 60 min was observed at a pH range of 4 to 6 and Fe/Pb ratio more than 2.5. Continuous experiments exposed that Pb2+ remediation was as well influenced by... 

In this study, in order to maximize the reaction rate of neutron activation (NA), an approach using combination of the MCNP code, the feed-forward neural network with the Bayesian regularization (FFNN-BR) learning algorithm, and the genetic algorithm (GA) is proposed. The MCNP code calculates the reaction rates based on the different moderator dimensions/ target positions. The calculated reaction rates with appropriate features (i.e. RT, R2S, and Z2S) are applied for training of the FFNN-BR. The trained neural network is utilized for estimating the reaction rates of the generated individuals by the GA. The results show that the trained neural network estimates the reaction rates with... 

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... 

The effect of cooling rate after hot deformation on the microstructure and mechanical properties of a commercial microalloyed forging steel (30MSV6 grade) was investigated using the hot compression test. Hot compression test was performed at 1150 and 925 °C followed by air cooling at different rates. Final microstructures and mechanical properties were evaluated by optical microscopy and shear punch test (SPT), respectively. The results indicated that by increasing the cooling rate, the as-received ferritic-pearlitic microstructure changes to the acicular ferrite, bainite or martensite. It is shown that both yield and ultimate strength increase but the ductility decreases significantly. At a... 

In this work, systems of linear and nonlinear partial differential equations and the reaction-diffusion Brusselator model are handled by applying the variational iteration method. The Variational iteration method has the advantage of being more concise for analytical and numerical purposes. The results reveal that the method is very effective and convenient. © Sharif University of Technology, April 2008  

Bisphenol A (BPA), which is a major component in the production of various consumer products, is one of the most significant endocrine-disrupting chemicals. In this research, the biocatalytic elimination of Bisphenol A using laccase produced by Phanerochaete chrysosporium was examined and optimized. The response surface methodology was used to study the effect of independent variables such as pH, temperature, initial laccase activity, initial Bisphenol A concentration, and the interactive effects of each variable on the removal of Bisphenol A and residual enzyme activity. Based on response surface plots, the maximum Bisphenol A removal (93%) was detected at a pH value of 8, temperature... 

Uniformly sized superparamagnetic single-shell nonporous (S1) and double-shell mesoporous silica nanocomposite particles with ∼130 nm magnetite cluster cores are synthesised in this study. Mesoporous particles are prepared with two BJH pore sizes (2.44 and 3.76 nm, designated as S2 and S3 particles, respectively). Once the lipase was immobilised on particles, our results showed that the enzyme loading capacities of mesoporous structures, i.e. S2 and S3, are higher than that for nonporous particles (S1). Hydrolytic activity tests reveal that immobilised lipases retain about 90% of the free enzyme's activity. Furthermore, comparing to the free enzyme, the thermal stability of immobilised... 

Progressive conversion/shrinking core (PC-SC) models of constant-size cylinders were exploited to interpret the decarburization reactions of MgO-C-Si bricks heated up under blown air. Chemical adsorption/solid (or pore) diffusion mechanisms governed the reaction rate. With 5% silicon, chemical adsorption vanished at 1000 and 1100°C. The oxidation rate lowered then with temperature. This was due apparently to the blocking of the pore-end gorges by the voluminous compounds (like Forstrite). Arrhenius plots of the specific rates yielded the activation energies of the prevailing steps. Without Si antioxidant, three steps were appreciated having activation energies of 51.65 (for chemical... 

In this paper, the artificial neural network has been applied to estimate the reaction rate of methanol dehydration in dimethyl ether synthesis. The multilayer feed forward neural network with three inputs and one output has been trained with different algorithms and different numbers of neurons in the hidden layer. Two thirds of all training data are used for training of the network and the rest are used for testing of the generalization of the network. The accuracy of the proposed model was found to agree well with the experimental results over a wide range of experimental conditions. The results clearly depict that the neural network is a powerful tool to estimate the reaction rate and... 

Biodiesel is considered an alternative replacement for petroleum diesel, and enzymatic reaction is one method for biodiesel production. Understanding the kinetics of this reaction is important to achieve higher production rates. The kinetics of transesterification of castor oil using Novozym 435 was investigated in this study. The genetic algorithm was employed for estimation of kinetic parameters including Vmax, KmTG, and KmA in the Ping Pong kinetic model at different temperatures. In most enzymatic reactions that follow the Ping Pong mechanism, inhibition by alcohol has been taken into consideration. Here, we examined a competitive inhibition mechanism and found no inhibition effect at...