Iranian Journal of Chemical Engineering (IJChE)

Abstract Centrifugal pumps are extensively employed in mining, petrochemical, and wastewater treatment industries, where handling solid–liquid two-phase flows often results in the erosive wear of internal components. This study investigates slurry-induced erosion in a single-stage centrifugal pump through a three-dimensional CFD model developed in COMSOL Multiphysics. The model integrates Lagrangian particle tracking with an empirical erosion correlation and is validated with experimental data reported in the literature, showing good agreement with an average relative error of below 5%. Parametric simulations were conducted to examine the effects of two key operating parameters: flow rate and particle concentration. The results indicate that at sub-design flow rates, the prolonged particle residence time increases impact frequency, leading to severe localized erosion near the blade leading edges. Conversely, operating at rates close to the design flow rate and up to 1.4 Qd reduces erosion intensity and promotes a more uniform wear distribution. Increasing particle concentration produces a nearly linear rise in the maximum erosion rate—from approximately 3 mm/year at 0.5% to over 22 mm/year at 3%—while also expanding the affected blade area. Moreover, larger particles intensify erosion severity and shift erosion zones toward the downstream blade regions, altering the wear mechanism. Overall, the validated CFD framework provides a robust and predictive tool for evaluating both erosion intensity and spatial distribution in slurry-handling centrifugal pumps. The findings emphasize the importance of optimizing operational parameters and applying wear-resistant materials to enhance pump durability and reduce maintenance costs. 

Abstract This study investigated sarin gas dispersion in an indoor environment using transient three-dimensional Computational Fluid Dynamics (CFD) and Artificial Neural Network (ANN) approaches. To achieve this, the CFD model was first verified and validated. Then, random locations in the indoor environment were considered as inlets of airflow with sarin gas, and the dangerous times were calculated using the CFD model. Finally, these results of the CFD model were used as inputs to train the ANN model. The results of this study demonstrated that the present model exhibited strong agreement with experimental data. Also, the results of training the ANN showed that for all sections, the training, validation, and testing data and model results were consistent with a high R-squared value. Moreover, the results of different air inlet locations showed that if the air inlet was placed in the corner sections of the indoor environment, the danger time increased. Additionally, if the air inlet was placed near the open region, the danger time also increased, which is an important result for designing indoor environments.

Abstract  This study investigates the two-phase flow simulation in a Y-type  micromixer with a circular pit at the junction with a 1.7 MHz ultrasonic (US) transducer. A CFD simulation is conducted on the micromixer under varying fluid flow rates. Initially, the simulation is performed without US waves, and subsequently, the US waves are applied. The influence of US waves on flow behavior, mass transfer coefficient (KLa), and extraction efficiency (E) is assessed and contrasts with the same in the scenario where no ultrasound is applied. The simulation outcomes exhibit strong agreement with the experimental findings of a reliable reference. The findings indicate that the flow pattern for both aqueous and organic phases is parallel within the micromixer when ultrasound is absent.   However, applying the US waves alters the flow pattern and enhances the mixing. Under the US field, the interface between the two phases is completely disrupted and the contact between them increases. It is concluded that applying US waves into the liquid medium enhances turbulence, mixing, and the mass transfer rate inside the micromixer.  The influence of the flow rate of the aqueous phase at different US powers on KLa and E was investigated. The decreasing trend of KLa is observed. The effect of the power of ultrasound (P=3.5, 5.25, and 7W) on KLa and E is investigated and results show that P= 7 W has the more ability to enhance the mass transfer rate. The maximum error that is obtained for KLa is 5.43 %, which shows the high accuracy of the CFD model.

Abstract This research presents the performance of bladeless wind turbines. It also familiarizes readers with the phenomenon of eddy current, which serves as the foundation for bladeless turbines. In this direction, these kinds of bladeless turbines have been designed, modeled, and simulated. Firstly, a two-dimensional vibrational movement of the cylinder with a natural frequency of 2 Hz was modeled at Re = 51000. Additionally, it was noted that the values of the displacement amplitude, and lift coefficient are -0.1-0.1, and -1.5-1.5  respectively. After that, using 2D simulation, the impacts of two different geometries, horizontal and vertical ellipsoids, on displacement amplitude are examined. Investigations were conducted on important factors such as lift coefficients and displacement amplitude, as well as the vortex flow pattern formed behind these shapes. It was discovered that the vertical ellipsoid shape had the maximum values for the height of the displacement amplitude, and lift coefficient. The most important factor influencing the performance of this type of geometry was examined, namely the dimensionless Reynolds number, which ranges from 15000 to 90000. It was determined that the intended geometry exhibited a larger displacement response as the Reynolds number increased.

Abstract In this study, the fluid flow together with solid particles has been studied using Computational Fluid Dynamics (CFD). The gas-solid flow (air and sand particles with the size of 150 µm) inside a 76.2 mm diameter pipe with various bend angles including 45, 60, 90, 120, 135, and 180° was modelled at the fluid flow velocity of 11 m/s. The k-ω turbulence model was employed to model the flow turbulence and the E/CRC erosion model have been used to predict erosion rates. The hydrodynamics of the flow, the particles motion as well as the probable erosion regions were predicted. The CFD simulation results showed that increasing the curvature angle increases the erosion rate. While, increasing the pipe diameter, decreases the erosion rate. The maximum erosion rate was predicted at the end part of the curvature for 45 and 60 ° angles, while it was observed in the middle region for 120 and 135 ° curvatures. Finally, the maximum erosion rate for the 180 ° curvature was observed in two regions at the end of the first and second half. Using these results, precautionary considerations for the erosion, and the suitable plans for the repair and maintenance of the equipment can be offered.

Abstract The purpose of this research is CFD modeling of the fluid flow inside an industrial valve in order to discover the areas with high shear stress and to determine the effect of hydrodynamic on the erosion rate. CFD results are compared with the existing experimental data in a valid reference and the model is verified with high accuracy. The impact of the pressure at inlet and the disc angle on the erosion is investigated. By increasing inlet pressure, maximum velocity, turbulence intensity, wall shear stress and particle erosion increased. However, the wall shear stress, turbulence intensity, and particle erosion are clearly reduced as the disc angle decreases. When the disc angle is less than 50o, the range of dependent parameters changes has a small value. Reducing the disc angle or increasing the inlet pressure led to an increase in cavitation. Therefore, to prevent the erosion of the butterfly valve, it is necessary to increase the disc angle or reduce the pressure at inlet. Erosion of the butterfly valve significantly occurred at the front and rear of the disc. Depending on the disc angle, the shear stress of wall for the modified configuration is 10 to 80 times lower than the original butterfly valve. Therefore, it can be stated that the modified geometry can reduce the wall shear stress and consequently the erosive for all the disc angles of the studied butterfly valve.

Abstract Ability and compatibility of the membrane processes for gas separation are evaluated by their membranes’ permeability and selectivity where both have been tried to enhance in promising membrane generation of mixed matrix membranes (MMMs). In the current study, two- and three-dimensional models were constructed for MMMs, and the Fick's first law was solved numerically in them by using the Finite Element Method (FEM) and Computational Fluid Dynamic (CFD) tools. The effects of different MMMs structural parameters such as the volume fraction, size and mode of packing, i.e., regular or random, of the filler particles were investigated on the effective permeability of the pure gaseous penetrants through the MMMs. Furthermore, the interfacial equilibrium constant of the penetrants and their diffusivity ratios were also evaluated in view point of their impacts on the MMMs’ separation performance. Some well-known established models including Maxwell, Bruggeman, Lewis - Nielsen, Pal, and Chiew - Glandt were applied in the modeling. Deviation of the simulation results from the experimentally measured ones were low enough, however, at higher loadings of the filler particles the simulation deviation became greater. Simulated results through PSF - MCM-41 MMMs were compared with those of experimentally measured ones and AAREs of 31.0 (The lowest deviation), 42.7, and 41.0 % obtained for CO2, O2, and N2, respectively.

Abstract MXene membranes perform well in biofuel separation due to their excellent hydrophilicity, flexibility, and mechanical strength. For the first time, computational fluid dynamics was used to model the dehydration of ethanol through the pervaporation system by the MXene membrane. We discretized the momentum and continuity equations using finite element methods and predicted the mass transport. Experimental results and model data were in good agreement (less than 10 %). The feed velocity, feed concentration, and membrane thickness all had positive effects on the separation factors while the temperature had a decreasing effect. This model's efficiency has decreased by 35 % after increasing the feed flow rate by 10 times. In addition, the separation factor increases tenfold when temperature is raised from 25 to 70 °C.

Abstract In this paper, three-dimensional incompressible laminar fluid flow in a rectangular microchannel heat sink (MCHS) using Al2O3/water nanofluid as a cooling fluid is numerically studied. CFD prediction of fluid flow and forced convection heat transfer properties of nanofluid using single-phase and two-phase model (Eulerian-Eulerian approach) are compared. Hydraulic and thermal performance of microchannels are investigated according to the results of the friction factor, pumping power, average heat transfer coefficient, thermal resistance, average temperature of the walls and entropy generation. In addition, due to the CFD results, two correlations for predication of Nusselt number and friction factor are presented. Comparing the predicted Nusselt number using single-phase and two-phase models with experimental data shows that the two-phase model is more accurate than single-phase model. The results show that increasing the volume fraction of nanoparticles leads to increases the heat transfer coefficient and reduces the heat sink wall temperature, but it leads to the undesirable effect of increase in pumping power and total entropy generation.

Abstract The effective parameters on Ohmic heating in static system containing biosolid-water were studied. The effects of distribution of particles, salinity and electric field strength on electrical conductivity, profiles of temperature, heat generation have been investigated. The experimental data verification with simulation results using computational fluid dynamics (CFD) method were carried out. Governing equations (heat transfer and electrical equations) were discretized with finite element method. The experimental data and CFD results showed that in Ohmic heating process, the current diffusion in all the products is faster than traditional methods and the diffusion rates are equal for both biosolid-liquid phases.

Abstract In this study, forced convection heat transfer of non-Newtonian nanofluids in a horizontal tube with constant wall temperature under turbulent flow conditions was investigated using computational fluid dynamics tools. For this purpose, non-Newtonian nanofluids containing three types of nanoparticles (Al2O 3, TiO 2 and CuO) with carboxymethylcellulose aqueous solution as a liquid single phase with three average particle sizes of 10, 25 and 40 nm nanofluids were investigated. Effects of nanoparticle type and Peclet number on the convective heat transfer coefficient were investigated in fully turbulent region of a horizontal tube. A correlated equation was obtained for Nusselt number using the dimensionless numbers by applying the simulation results. Results showed that the correlated data were in very good agreement with the experimental ones obtained from the literature. The maximum error was 12%.

Abstract Turbulent flow field in a 200 m3 industrial suspension polymerization reactor, which is a baffled agitated vessel, was simulated using CFD. Multi-reference frame (MRF) methods and k-Â turbulence model were used to solve turbulent flow equations. It was found that turbulent flow field in reactor is non-homogenous. This non-homogeneity is especially common among three compartments of a reactor based on turbulent kinetic energy (TKE) dissipation rate. A compartment around the impeller with very high rate of TKE dissipation (impeller zone), a compartment around the baffles with a relatively high rate of TKE dissipation (baffle zone) and a relatively big compartment in bulk of flow with low TKE dissipation rate (circulation flow). Therefore a three-compartment model was used to explain the non-homogeneity of turbulent flow field. The parameters of this model are compartment volume ratios (Ïi and Ïb), compartment energy
dissipation ratios (Îb and Îi) and exchange flow rates (Qi and Qb), which were obtained from simulations for different agitation rates.

Abstract Enhanced design strategies in the industrial cracking furnaces are of practical interest for petrochemical industries. For such engineering purposes the exact simulation of temperature and flow fields in the furnace is mandatory. In this paper, a study was conducted to simulate 3D flue gas flow pattern and temperature field in the radiation section of an industrial cracking furnace in order to improve the design of the steam cracking furnaces, employing the computational fluid dynamics (CFD) technique. The steady-state Reynolds averaged Navier–Stokes (RANS) equations were solved, in a finite volume scheme for a turbulent premixed flow applying the renormalization group (RNG) version of the k
ε− model, together with global combustion kinetics for methane-hydrogen-air. Calculation of the Damkhöler number and optical-thickness was conducted to identify the appropriate methods for the numerical modeling of radiation and turbulence-chemistry interaction phenomena. The predicted results match the literature data quite well. The validated numerical procedure was then employed to investigate alternative design attributed to different burner locations. The alternative design resulted in a more uniform temperature profile on the reactor tubes as well as lower peak flame temperature.

Abstract This paper reports the result of CFD simulation of catalytic oxidation of benzene on monolithic catalyst. The geometries ofthe catalyst and reactor were designed in Gambit software and simulation of catalytic oxidation was carried out in fluent 6.2. Results of simulation showed excellent agreement with the experimental data. This study confirmed the accuracy of the used model in this simulation (Mars van Krevelen). Furthermore, CFD made it possible to obtain a more accurate view ofheat transfer and fluid flow. This study confirmed CFD is the best tool for study offluid regime and heat transfer and especially, concentration of species, and surface deposition along the reactor in the chemical process.

Abstract ewline"> Dispersion of heavy gases is considered to be more hazardous than the passive ones because it takes place more slowly. When the gas is accidentally released at ground level or where there are many obstacles in the area it is considered to be a heavy gas. In this paper, based on the extensive experimental work of McQuid and Hanna, the model was tested against two types of experiments: A simple experiment “Thorney Island” and a complex experiment “Kit Fox” in order to validate CFD code. In order to accomplish this validation the multiphase approach was employed. Also, the vertical temperature gradient in the atmosphere was investigated. The investigation of wind speed was done taking factors such as time, height and direction into consideration. In order to reduce the number of elements in the computational domain, a combination of 2D and 3D geometry was utilized. The results showed that the wind inlet correction, as well as the temperature gradient, had a significant influence on gas concentration records.

Abstract The turbulent flow field generated in a baffled stirred tank was computed by large eddy simulation (LED) and the flow field was developed using the Sliding Mesh (SM) approach. In this CFD study, mixing times and power number have been determined for a vessel agitated by a 6-blade Rushton turbine. The predicted results were compared with the published experimental data. The satisfactory results of comparisons indicate the potential usefulness of this approach as a computational tool for designing stirred reactors.