A LBM–DEM solver for fast discrete particle simulation of particle–fluid flows

The lattice Boltzmann method (LBM) for simulating fluid phases was coupled with the discrete element method (DEM) for studying solid phases to formulate a novel solver for fast discrete particle simulation (DPS) of particle–fluid flows. The fluid hydrodynamics was obtained by solving LBM equations instead of solving the Navier–Stokes equation by the finite volume method (FVM). Interparticle and particle–wall collisions were determined by DEM. The new DPS solver was validated by simulating a three-dimensional gas–solid bubbling fluidized bed. The new solver was found to yield results faster than its FVM–DEM counterpart, with the increase in the domain-averaged gas volume fraction. Additionally, the scalability of the LBM–DEM DPS solver was superior to that of the FVM–DEM DPS solver in parallel computing. Thus, the LBM–DEM DPS solver is highly suitable for use in simulating dilute and large-scale particle–fluid flows.     

Mass flow rate prediction of pressure–temperature-driven gas flows through micro/nanoscale channels

In this paper, we study mass flow rate of rarefied gas flow through micro/nanoscale channels under simultaneous thermal and pressure gradients using the direct simulation Monte Carlo (DSMC) method. We first compare our DSMC solutions for mass flow rate of pure temperature-driven flow with those of Boltzmann-Krook-Walender equation and Bhatnagar-Gross-Krook solutions. Then, we focus on pressure–temperature-driven flows. The effects of different parameters such as flow rarefaction, channel pressure ratio, wall temperature gradient and flow bulk temperature on the thermal mass flow rate of the pressure–temperature-driven flow are examined. Based on our analysis, we propose a correlated relation that expresses normalized mass flow rate increment due to thermal creep as a function of flow rarefaction, normalized wall temperature gradient and pressure ratio over a wide range of Knudsen number. We examine our predictive relation by simulation of pressure-driven flows under uniform wall heat flux (UWH) boundary condition. Walls under UWH condition have non-uniform temperature distribution, that is, thermal creep effects exist. Our investigation shows that developed analytical relation could predict mass flow rate of rarefied pressure-driven gas flows under UWH condition at early transition regime, that is, up to Knudsen numbers of 0.5.     

4E analysis and tri-objective optimization of a triple-pressure combined cycle power plant with combustion chamber steam injection to control NOx emission

This article presents a novel triple-pressure combined cycle power plant (CCPP) with a heat recovery steam generator (HRSG) configured with heat exchangers of multiple pressure levels, same as the real case. In addition, combustion chamber steam injection is added to the top cycle in order to reduce hazardous emissions. The research investigates energy, exergy, economic, and environmental aspects of the system to initiate sustainable development in said areas. A thorough parametric study is carried out to evaluate the effects of steam injection and other decision variable on emissions and system performance. Then, the total cost rate and the CO₂ index are minimized while maximizing the second law efficiency via a tri-objective optimization using the genetic algorithm. The outcome of the economic analysis is that the HRSG has the maximum total cost rate among all the components, namely 0.1673 $/s. The environmental impact  assessments indicate that the CO₂ and NO emission has considerable molar fractions of 0.035 and 6.88?×?10^?4, respectively. As a result of the tri-objective optimization, a 3D Pareto Frontier is presented, which pointed out the maximum attainable exergy efficiency is 50.32%, as well as the minimum total cost rates of 8.04 $/s and CO₂ index of 0.34 kg/kWh. Finally, the scatter distribution of major decision variables revealed the optimum range of decision variables in which the optimum points of the Pareto Frontier are obtained. Accordingly, the scatter distribution showed that 46 kg s^?1 is the optimum value for steam injection flow rate in terms of efficiency, cost and emission optimization.

     

Effect of Functionalized Magnetite Nanoparticles and Diaminoxanthone on the Curing,Thermal Degradation Kinetic and Corrosion Property of Diglycidyl Ether of Bisphenol A-Based Epoxy Resin

To prepare a high-performance epoxy resin with excellent thermal, chemical and corrosion stability, diaminoxanthone（DAX） was used to cure diglycidylether of bisphenol-A（DGEBA）-based epoxy resin and blend of DGEBA with functionalized Fe3O4 nanoparticles. Kinetic parameters of curing and thermal degradation of epoxy resin systems were estimated by differential scanning calorimetry（DSC） and thermogravimetric analysis（TGA）, respectively. The 10% weight loss temperature has been increased from 340 °C to 366 °C and there was an increase in the char yield from 32.6% to 45.3% for the above systems. The corrosion performance of epoxy coated carbon steel was examined by potentiodynamic polarization, along with immersion test in 1.0 mol/L HCl solution. The results showed that epoxy resins cured with DAX had low tendency to corrosion. In addition, the cured epoxy resin containing 10% Fe3O4 had higher anticorrosion activity than bare DGEBA system. The results showed that functionalized Fe3O4 nanoparticles enhanced char formation and improved the thermal stability as well as anticorrosion activity of the resin.     

A new kinetic spectrophotometric method for the determination of major metabolite of heroin in biological samples

This study describes a simple,rapid and selective catalytic kinetic spectrophotometric method for the determination of 6- monoacetylmorphine（6-MAM） as major metabolite of heroin in biological samples.The method is based upon the catalytic effect of 6-MAM on the oxidation of Janus Green by bromate in acid media.The reaction was followed spectrophotometrically by measuring the decrease in absorbance of Janus Green at 618 nm.The dependence of sensitivity on the reaction variables was studied.Under optimum conditions,two linear calibration curves over the range 0.1-1.0μg mL^-1 and 1.0-34.0μg mL^-1 of 6- MAM were obtained.The detection limit was 1.2×10²μg mL^-1 of 6-MAM.The relative standard deviations for six replicate determinations of 0.8 and 5.0μg mL^-1 of 6-MAM were 1.4 and 1.1%respectively.The effect of various species commonly associated with heroin in real samples was also investigated.The proposed method was successfully applied in human urine and serum samples with satisfactory results.     

Microwave-assisted reaction between 2-aminobenzoic acids, 2-hydroxybenzaldehydes,and arylboronic acids: a one-pot three-component synthesis of bridgehead bicyclo[4.4.0]boron heterocycles

A one-pot three-component synthesis of 6-aryl-8H-dibenzo[d,h][1,3,7,2]dioxazaborecin-8-ones is described. A mixture of 2-aminobenzoic acid, 2-hydroxybenzaldehyde, and arylboronic acid undergo a 1:1:1 addition reaction in CCl₄ under microwave irradiation to produce bridgehead bicyclo[4.4.0]boron heterocycles in excellent yields.     

Solvent-free and three-component synthesis of 1H,6H-6λ5-[1,2]benzoxaphospholo[2,3-b][1,2]benzoxaphosphol-1-ones

A concise and facile synthesis of a new class of P,O-heterocycles is described. Knoevenagel condensation reaction of a salicylaldehyde and a cyclohexane-1,3-dione forms an α,β-unsaturated intermediate, which undergoes nucleophilic addition of a trialkyl phosphite under solvent-free conditions to afford the title compounds in good to excellent yields.     

Evaluation of the Electrophilicites and Band Gaps of Conductive Polymers: A New Model

It is shown that the obtained hardness and electrophilicity values of the short length oligomers for a heterocyclic conductive polymer from density functional theory method are quadraticly correlated to those obtained from semiempirical method. Therefore these quantities for all oligomers (up to 15 repeating units) are predicted using the obtained quadratic relations. Both of these predicted quantities for different oligomers are fitted to a new exponential model (Y = Y_∞ e^d/n) to estimate the electronic properties for the considered conjugated polymers. The calculated band gaps from this model show better agreement with the reported experimental data than those predicted by the previous models. Because of a wide range of variations, the electrophilicity could be a better index for investigating the doping effect in polymers than the hardness.

     

A new and reliable model for predicting methane viscosity at high pressures and high temperatures

In recent years, there has been an increase of interest in the flow of gases at relatively high pressures and high temperatures. Hydrodynamic calculation of the energy losses in the flow of gases in conduits, as well as through the porous media constituting natural petroleum reservoirs, requires knowledge of the viscosity of the fluid at the pressure and temperature involved. Although there are numerous publications concerning the viscosity of methane at atmospheric pressure, there appears to be little information available relating to the effect of pressure and temperature upon the viscosity. A survey of the literature reveals that the disagreements between published data on the viscosity of methane are common and that most investigations have been conducted over restricted temperature and pressure ranges. Experimental viscosity data for methane are presented for temperatures from 320 to 400 K and pressures from 3000 to 140000 kPa by using falling body viscometer. A summary is given to evaluate the available data for methane, and a comparison is presented for that data common to the experimental range reported in this paper. A new and reliable correlation for methane gas viscosity is presented. Predicted values are given for temperatures up to 400 K and pressures up to 140000 kPa with Average Absolute Percent Relative Error (EABS) of 0.794.     

One-pot synthesis of imidazo[1,2-a]pyridines from benzyl halides or benzyl tosylates, 2-aminopyridines and isocyanides

A one-pot synthesis of imidazo[1,2-a]pyridines is described. Benzyl halides or benzyl tosylates are oxidized to aldehydes under mild Kornblum conditions which then undergo a three-component reaction with various 2-aminopyridines and isocyanides to afford the imidazo[1,2-a]pyridines in excellent yields.