One‐Pot Synthesis of Dialkyl 2‐(Alkyl or aryl)‐6‐(pyrimidin‐2‐ylthio)‐4‐thioxo‐5,6‐dihydro‐4H‐1,3‐oxazine‐5,6‐dicarboxylate Derivatives via a Four‐Component Reaction

A number of new dialkyl 2‐(alkyl or aryl)‐6‐(pyrimidin‐2‐ylthio)‐4‐thioxo‐5,6‐dihydro‐4H‐1,3‐oxazine‐5,6‐dicarboxylate have been prepared in good yield from the multicomponent reaction between 2‐mercaptopyrimidines and acetylenic diesters with acetyl or benzoyl isothiocyanate.     

A Simple Synthesis of Stable Phosphoranes Derived from Imidazole Derivatives

Stable crystalline phosphorus ylides were obtained in excellent yields from the 1:1:1 addition reaction between triphenylphosphine and dialkyl acetylenedicarboxylates, in the presence of strong NH-acids, such as imidazole, 2-methylimidazole, 4-methylimidazole, 2-ethylimidazole, benzimidazole, and 5,6-dimethylbezimidazole. These stable ylides exist in solution as a mixture of two geometrical isomers as a result of restricted rotation around the carbon–carbon partial double bond resulting from the conjugation of the ylide moiety with the adjacent carbonyl group.     

Catalyst-Free,Efficient, and Facile Conversion of Epoxides to β-Hydroxy Thiocyanates Under Neutral Conditions

Epoxides are efficiently and easily converted to their corresponding β-hydroxy thiocyanates by NH₄SCN in refluxing acetonitrile in a regio- and chemoselective manner under neutral conditions without using a catalyst, in spite of the use of many different catalysts reported in the literature for this purpose.     

Modification of the Scaled Particle Theory for Solubility of Non-Polar Gases in Water

In this work based on the modified scaled particle theory (SPT), the solubility of non-polar gases (He, Ar, N₂, H₂, O₂, CO₂ and CH₄) in water has been studied over a wide range of temperatures. Calculations of Henry’s law constant by the SPT are related to the inherent physical properties and parameters of solvent and solute, all of which are considered temperature dependent. The temperature dependence of molar volume and hard sphere diameter of solvent and polarizability of solute have the most significant effects on the solubilities of gases in water. The average relative deviation is less than 3 %. Also, the effect of different mixing rules in the application of SPT to prediction of gas solubility has been studied.     

Preparation,characterization, and use of poly(vinylpyrrolidonium) hydrogen phosphate ([PVP-H]H2PO4) as a new heterogeneous catalyst for efficient synthesis of 2-amino-tetrahydro-4H-pyrans

Research on Chemical Intermediates - A novel Brønsted solid acid named poly(vinylpyrrolidonium) hydrogen phosphate ([PVP-H]H2PO4) has been prepared by using H3PO4 and poly(vinylpyrrolidone) as...     

Computational modeling of porous medium inside a channel with homogeneous nanofluid

Journal of Thermal Analysis and Calorimetry - In the present study, the flow field and heat transfer have been simulated numerically inside a channel. The channel is under the constant heat flux....     

Variational Approach to Fourth-Order Impulsive Differential Equations with Two Control Parameters

In this paper, we are concerned with the multiplicity of solutions for a fourth-order impulsive differential equation with Dirichlet boundary conditions and two control parameters. Using variational methods and a three critical points theorem, we give some new criteria to guarantee that the impulsive problem has at least three classical solutions. We also provide an example in order to illustrate the main abstract results of this paper.     

The flow simulation of a low-specific-speed high-speed centrifugal pump

In this paper a general three-dimensional simulation of turbulent fluid flow is presented to predict velocity and pressure fields for a centrifugal pump. A commercial CFD code was used to solve the governing equations of the flow field. In order to study the most suitable turbulence model, three known turbulence models of standard k–ε, RNG and RSM were applied. The complex flow configuration required us to use around 5,800,000 cells, and 12 computational nodes (processors) for parallel computing. Simulation results in the form of characteristic curves were compared with available experimental data, and an acceptable agreement was obtained. Additionally, effect of number of blades on the efficiency of pump was studied. The number of blades was changed from 5 to 7. The results show that the impeller with 7 blades has the highest head coefficient. Finally, it was observed also that the position of blades with respect to the tongue of volute has great effect on the start of the separation. Thus, to analyze the effect of blade number on the characteristics of the pump, the position of blade and tongue should be similar to each other. Investigations of this kind may help to reduce the required experimental work for the development and design of such devices.     

An improved particle shifting technique for incompressible smoothed particle hydrodynamics methods

The smoothed particle hydrodynamics (SPH) method is one of the powerful Lagrangian tools for modeling free surface flows. However, it suffers from particle disorder, which leads to interpolation and numerical errors. To overcome this problem, several techniques have been introduced until now, among which the particle shifting technique (PST) based on Fick's law is an efficient one. The current form of this method needs tuning parameters to fulfill numerical stability criteria. In this study, to eliminate calibration factors, a new shifting coefficient is derived theoretically based on particle positions before and after shifting, regardless of other parameters such as velocity, pressure, time step intervals, etc. The only required input is particle positions, and the main concern is conserving particle densities in their updated positions. In addition to the proposed PST, a new distribution index (DI) is introduced for measuring the spatial uniformity of particles. Furthering the research, some novel treatments are also studied to improve particle movements near free surface boundary. The proposed idea is only assessed for ISPH method in this study, and its performance in other SPH schemes needs more investigations. Following this innovative method, it is validated by modeling different cases including dam break flow, paddle movement, and elliptical water drop. In all cases, particle arrangements have been improved by means of the modified shifting method. In that sense, good agreements between simulation results with experimental data, analytical solutions, and other numerical methods approve the ability of the developed method in simulating free surface flows.