The gas-liquid flow and oxygen content in a pressurized leaching stirred tank significantly influence the chemical reaction rates, while the specific dynamics of gas-liquid flow in the sulfuric acid system remain largely unexplored. In this study, a mathematical model of gas-liquid flow within a stirred tank is developed using the Euler-Euler approach, with the turbulence and drag force models being validated against experimental data. Utilizing this validated and reliable model, this study investigates the impacts of the sulfuric acid concentration, baffles, air inlet velocity, and bubble diameter on the flow field and gas holdup in a two-phase system consisting of a sulfuric acid solution and oxygen. The findings indicate that introducing a specific concentration of sulfuric acid decreases the solution velocity and increases the gas holdup within the tank. However, once the sulfuric acid concentration reaches a certain threshold, further increases have a diminished effect on the gas-... [more]

Biaxial compression tests based on an elliptical tunnel were conducted to study the failure characteristics and the meso-crack evolution mechanism of tunnels with different cross-sections constructed in sandstone. The progressive crack propagation process around the elliptical tunnel was investigated using a real-time digital image correlation (DIC) system. Numerical simulations were performed on egg-shaped, U-shaped, and straight-walled arched tunnels based on the mesoscopic parameters of the elliptical tunnel and following the principle of an equal cross-sectional area. The meso-crack evolution and stress conditions of the four types of tunnels were compared. The results show that (1) fractures around an elliptical tunnel were mainly distributed at the end of the long axis and mainly induce slabbing failure, and the failure mode is similar to a V-shaped notch; (2) strain localization is an important characteristic of rock fracturing, which forebodes the initiation, propagation, and c... [more]

Electric desalination units in the crude oil refining process are becoming increasingly important with the growing trend towards heavy and poor crude oils. The oil−water mixing effect of the static mixer plays a crucial role in the electric desalination process. The present study investigated the effect of various variables, such as mixer type, number of mixing elements, washing water consumption, and oil viscosity and density on the oil−water mixing efficiency of a static mixer. In addition, this study also analyzed the effect of these variables on the salt washing process that occurs during mixing using a kinetic equation for the dissolution of inorganic salts. The results showed that the number of mixing elements was the most significant variable, followed by the amount of washing water injected. The density of the crude oil had a negligible effect. Based on these results, the use of four mixing elements in the SMX static mixer was recommended. The injection of washing water should... [more]

In the process of water displacing oil within mobile pipelines, it is common that the oil tends to accumulate at the elevated sections of inclined pipelines, leading to an issue of residual oil accumulation. In this paper, the mechanism of carrying accumulated oil out of the pipeline with water flow is discussed. Taking the residual oil layer in down-hill pipelines as a research object, a hydrodynamic model of the water-oil displacement process is established based on the theory of liquid−liquid two-phase flow and the application of the momentum transfer equation. It has been found that the use of this model can enhance the computational speed by 15% without affecting the accuracy of the calculations. Subsequently, the model is used to analyze the impact of different initial water-phase velocities, inclination angles, initial oil-phase heights, and pipeline diameters on the oil-carrying process of water flow. The results indicate that increasing the initial water-phase velocity, the an... [more]

This study delves into computational fluid dynamics (CFDs) predictions for SiO2−water nanofluids, meticulously examining both single-phase and two-phase models. Employing the finite volume approach, we tackled the three-dimensional partial differential equations governing the turbulent mixed convection flow in a horizontally corrugated channel with uniform heat flux. The study encompasses two nanoparticle volume concentrations and five Reynolds numbers (10,000, 15,000, 20,000, 25,000, and 30,000) to unravel these intricate dynamics. Despite previous research on the mixed convection of nanofluids using both single-phase and two-phase models, our work stands out as the inaugural systematic comparison of their predictions for turbulent mixed convection flow through this corrugated channel, considering the influences of temperature-dependent properties and hydrodynamic characteristics. The results reveal distinct variations in thermal fields between the two-phase and single-phase models, w... [more]

Propylene glycol methyl ether acetate (PGMEA) serves as a crucial solvent in semiconductor and display material processes, demanding high purity and low acidity. Despite its significance, its conventional synthesis method using homogeneous catalysts requires extensive purification. Our study explores the use of Amberlyst-15, a stable solid catalyst, to streamline this process. Through batch reactions with a 1:1 reactant ratio at various temperatures and modeling using an integrated reaction rate equation, we obtained kinetic parameters. These parameters were used to predict the kinetics under different reactant ratios and different catalyst amounts, and the predictions match well with experimental results, especially when we used the catalyst amount scaled by the amount of the limiting reactant (PGME) rather than the total amount of the reactants. This highlights the importance of reporting kinetic parameters with proper scaling for catalyst used. Furthermore, we integrated these param... [more]

This research paper presents a comprehensive study on the combustion of wheat straw pellets in a 10 kW fixed-bed reactor through a Computational Fluid Dynamics (CFDs) simulation and experimental validation. The developed 2D CFDs model in ANSYS meshing simulates the combustion process in ANSYS Fluent software 2021 R2. The investigation evaluates key parameters such as equivalence ratio, heating value, and temperature distribution within the reactor to enhance gas production efficiency. The simulated results, including combustion temperature and produced gases (CO2, CO, CH4), demonstrate a significant agreement with experimental combustion data. The impact of the equivalence ratio on the conversion efficiency and lower heating value (LHV) is systematically explored, revealing that an equivalence ratio of 0.35 is optimal for maximum gas production efficiency. The resulting producer gas composition at this optimum condition includes CO (~27.67%), CH4 (~3.29%), CO2 (~11.09%), H2 (~11.09%),... [more]

Most structural faults in metal parts can be attributed to fatigue crack propagation. The analysis and prognostics of fatigue crack propagation play essential roles in the health management of mechanical systems. Due to the impacts of different uncertainty factors, the crack propagation process exhibits significant randomness, which causes difficulties in fatigue life prediction. To improve prognostic accuracy, a physics-based Tweedie exponential dispersion process (TEDP) model is proposed via integrating Paris Law and the stochastic process. This TEDP model can capture both the crack growth mechanism and uncertainty. Compared with other existing models, the TEDP taking Wiener process, Gamma process, and inverse process as special cases is more general and flexible in modeling complex degradation paths. The probability density function of the model is derived based on saddle-joint approximation. The unknown parameters are calculated via maximum likelihood estimation. Then, the analytic... [more]

The joints and fissures in a natural rock mass can affect the mechanical properties of the rock mass, the propagation of a blasting stress wave, and the blasting effect of the smooth surface of roadways. In the process of roadway drilling and blasting, there will inevitably be some joints between the two blast holes. Taking the joint angle as the starting point, this paper studies the rule of rock explosion crack propagation and stress variation when there are joints with different angles between two blast holes and analyzes the influence of joints on rock mechanical properties and blasting effects. The numerical simulation method and the software ANSYS/LS-DYNA are used to establish 7 rock mass models with various joint angles. When there is no joint between two holes and joints of 15°, 30°, 45°, 60°, 75°, and 90°, the propagation of explosive cracks and stress variations in the rock mass are discussed. The results show that the joints at different angles have obvious guiding and block... [more]

In this study, a Computational Fluid Dynamics (CFD) approach using Ansys Fluent 15.0 and FLIC software was employed to simulate the combustion process of a 750 t/d grate-type waste incinerator. The objective was to assess the performance of Selective Non-Catalytic Reduction (SNCR) technology in reducing nitrogen oxide (NOx) emissions. Two-stage simulations were conducted, predicting waste combustion on the bed and volatile matter combustion in the furnace. The results effectively depicted the temperature and gas concentration distributions on the bed surface, along with the temperature, velocity, and composition distributions in the furnace. Comparison with field data validated the numerical model. The findings serve as a reference for optimizing large-scale incinerator operation and parameter design through CFD simulation.

Manufacturing parts made of thin steel in small batches is a challenging task in terms of reaching the proper balance between the productivity, the cost, and the dimensional precision. This paper presents the results of experimental research about manufacturing electrical steel thin parts using abrasive waterjet cutting. For a certain increase of productivity and a more efficient process, the parts were cut using multilayer packages of steel strips. The main objective was to analyze the influence of the number of layers on the dimensional precision of parts. Preliminary tests were performed, followed by a full factorial experiment using two independent parameters, the number of layers and the traverse speed. The parts were measured on a noncontact vision measurement machine and mathematical models were determined to predict the parts deviations depending on the independent parameters used. A practical validation of the models was performed. The main conclusion is that the number of lay... [more]

During the development of horizontal wells in bottom-water reservoirs, the strong heterogeneity of reservoir permeability leads to premature bottom-water breakthroughs at locations with high permeability in the horizontal wellbore, and the water content rises rapidly, which seriously affects production. To cope with this problem, a new technology has emerged in recent years that utilizes gravel filling to block the flow in the annulus between the horizontal well and the borehole and utilizes the Inflow Control Device (ICD) completion tool to carry out segmental water control in horizontal wells. Unlike conventional horizontal well ICD completions that use packers for segmentation, gravel packs combined with ICD completions break the original segmentation routine and increase the complexity of the production dynamic simulation. In this paper, the flow in different spatial dimensions, such as reservoirs, gravel-packed layers, ICD completion sections, and horizontal wellbores, is modeled... [more]

The quantum chemical properties of long-flame coal (LFC) and collectors (kerosene, diesel, diethyl phthalate (DEP), biodiesel collector (BDC), and emulsified biodiesel collector (EBDC)) were analyzed via the density functional theory (DFT). The molecular dynamics (MD) of the coal−collector−water system and the adsorption of collectors on LFC were conducted based on the first principles. The results showed that the frontier molecular orbitals of kerosene, diesel, DEP, and BDC were 0.38 eV, 0.28 eV, 0.27 eV, and 0.20 eV, respectively. The chemical reactivity order of the above mentioned collectors was BDC > DEP > diesel > kerosene. Kerosene, diesel, and DEP adsorbed with carbonyl, hydroxyl, and carboxyl groups in LFC, respectively. Carboxyl groups in BDC and carboxyl groups in LFC bilaterally adsorbed, while BDC repelled water molecules via hydrogen bonds on the LFC surface. In the systems of BDC and EBDC, the diffusion coefficients of a water molecule were 2.83 × 10−4 cm2/s and 3.73 × 1... [more]

Significant progress in the development of micro and nanoscale devices has been observed for the past three decades. The thermal transportation in these small-length scales varies significantly, and it is difficult to explain the underlying physics using the pre-existing theoretical formulations. When the bulk dimension of a system is comparable to or smaller than the mean free path (MFP) of the thermal carriers, classical theories, such as Fourier’s Law of heat conduction, are unable to accurately explain the system energy dynamics. The phenomena of energy transit and conversion at the micro to nanoscale is an interesting topic of research due to the substantial changes in behavior that are documented when compared to those at the macro size. This review article is broadly divided into two parts. Initially, the recent development in the field of molecular dynamic (MD) simulations is emphasized. Classical MD simulation is such a powerful tool that provides insight into the length scale... [more]

According to QYResearch, a global market research firm, the global market size of secondary batteries is growing at an average annual rate of 8.1%, but fires and casualties continue to occur due to the lack of quality and reliability of secondary batteries. Therefore, improving the quality of secondary batteries is a major factor in determining a company’s competitive advantage. In particular, lead taps, which electrically connect the negative and positive electrodes of secondary batteries, are a key factor in determining the stability of the battery. Currently, the quality inspection of secondary battery lead tab manufacturers mostly consists of visual inspection after vision inspection with a rule-based algorithm, which has limitations on the types of defects that can be detected, and the inspection time is increasing due to overlapping inspections, which is directly related to productivity. Therefore, this study aims to automate the quality inspection of lead tabs of secondary batte... [more]

Paraxanthine (PX), a major metabolite of caffeine, a protective agent against Alzheimer’s and Parkinson’s disease, and a promising drug for the treatment of post-COVID 2019 anosmia and ageusia, has been studied in the solid state and protein−ligand complex. Partial disorder in PX, caused by the methyl group at the N(7) position, has been modelled and discussed. The relationship between the unusual structural disorder and the propensity to form a specific system of non-covalent bonds was analyzed. Three 1H-14N NMR-NQR (nuclear magnetic resonance−nuclear quadrupole resonance) experimental techniques were used, namely multiple frequency sweeps, Larmor frequency scanning, and the two-frequency irradiation, followed by solid-state computational modelling (density functional theory, supplemented by quantum theory of atoms in molecules, 3D Hirshfeld surfaces, and reduced density gradient), and molecular docking approaches. New quantitative methods for estimating changes in the global pattern... [more]

This study investigates and compares the experimental heat transfer performance and simulation via computational fluid dynamics (CFD) of graphene nanoplatelets (GNP) and water nanofluids GNP/water in the double-tube-type heat exchanger (DTHE). Tests were conducted with water/water and GNP/water fluids, with the nanofluid for the hot-fluid circuit and water for the cold-fluid circuit, with counterflow direction, varying the nanofluid concentrations by weight (wt%) at 0.0125%, 0.025%, and 0.050%, the operating temperature at 50 and 60 °C, and Reynolds numbers between 2000−6000. The results showed that 0.025 wt% GNP presented better thermal performance, with a 28% increase in the temperature gain. The 0.025 wt% GNP had slightly better performance for the Nusselt number (Nu), and the 0.05 wt% GNP had a slightly better thermal effectiveness. The comparison between the experimental values showed good agreement with those calculated by empirical correlations and the CFD model, with maximum an... [more]

The installation of ground collectors often has several disadvantages for the user, despite future benefits in more ecological heating, namely the need for a large space for installation, which increases costs, and can also cause inconvenience later, for example, by keeping snow on the surface for a longer time. The goal of this paper was to find out with the help of simulations in ANSYS whether a collector with a different geometry and arrangement (vertical spiral with diameters of 6, 8 and 10 m), which would be more comfortable, cheaper, and also friendlier to the environment, would achieve performance similar to the classic geometry—meander. The initial results are relatively favorable and prove that there is room for optimization and improvement in this field. Verification of network sensitivity in all cases is 8% or less. In the current situation of the energy crisis, it is necessary to look for the possibilities of using heat pumps in cities and metropolises. The new geometry cou... [more]

Aimed at the characteristics of multi-source heterogeneity and the rapid generation of data in digital twin workshops, as well as the current situation where communication protocols between equipment within the workshop vary greatly and are difficult to interconnect, a data integration method based on OPC UA is designed. Firstly, combining the process flow and data source characteristics of array antenna assembly, a data collection and transmission scheme based on OPC UA was designed. Secondly, a process information model of array antenna assembly was established to realize data perception and transmission and solve the difficulties of complex data structure, high real-time requirements, and heterogeneous data in digital twin workshop. Finally, the proposed method and model were applied to the performance prediction platform for an array antenna assembly process based on digital twins, achieving perception of process data during the assembly process of array antennas, and achieving per... [more]

Scaling bioprocesses remains a major challenge. Since it is physically impossible to increase all process parameters equally, a suitable scale-up strategy must be selected for a successful bioprocess. One of the most widely used criteria when scaling up bioprocesses is the specific power input. However, this represents only an average value. This study aims to determine the Kolmogorov length scale distribution by means of computational fluid dynamics (CFD) and to use it as an alternative scale-up criterion for geometrically non-similar bioreactors for the first time. In order to obtain a comparable Kolmogorov length scale distribution, an automated geometry and process parameter optimization was carried out using the open-source tools OpenFOAM and DAKOTA. The Kolmogorov−Smirnov test statistic was used for optimization. A HEK293-F cell expansion (batch mode) from benchtop (Infors Minifors 2 with 4 L working volume) to pilot scale (D-DCU from Sartorius with 30 L working volume) was carri... [more]

The chemical and biotechnology industries are facing new challenges in the use of renewable resources. The complex nature of these materials requires the use of advanced techniques to understand the kinetics of reactions in this context. This study presents an interdisciplinary approach to analyze cofactor coupled enzymatic two-substrate kinetics and competitive two-substrate kinetics in a fast and efficient manner. By studying the adsorption energy distribution (AED), it is possible to determine the individual parameters of the reaction kinetics. In the case of a single alcohol reaction, the AED is able to identify parameters in agreement with the literature with few experimental data points compared to classical methods. In the case of a competitive reaction, AED analysis can automatically determine the number of competing substrates, whereas traditional nonlinear regression requires prior knowledge of this information for parameter identification.

The quality of cotton seed is of great significance to the production of cotton in the cotton industry. In order to reduce the workload of the manual sorting of cotton seeds and improve the quality of cotton seed sorting, this paper proposed an image-detection method of cotton seed damage based on an improved YOLOv5 algorithm. Images of cotton seeds with different degrees of damage were collected in the same environment. Cotton seeds of three different damage degrees, namely, undamaged, slightly damaged, and seriously damaged, were selected as the research objects. Labeling software was used to mark the images of these cotton seeds and the marked images were input into the improved YOLOv5s detection algorithm for appearance-based damage identification. The algorithm added the lightweight upsampling operator CARAFE to the original YOLOv5s detection algorithm and also improved the loss function. The experimental results showed that the mAP_0.5 value of the improved algorithm reached 99.5... [more]

In this study, we investigate the structural changes, electronic properties, and charge redistribution within azo-bithiophene (Azo-BT)-chemisorbed monolayers under different light stimuli using the density functional theory and molecular dynamics simulations. We consider two types of switches, Azo-BT and BT-Azo, with different arrangements of the Azo and BT blocks counting from the anchor thiol group. The chemisorbed monolayers of pure cis- and trans-isomers with a surface concentration of approximately 2.7 molecules per nm2 are modeled on a gold surface using the classical all-atom molecular dynamics. Our results reveal a significant shrinkage of the BT-Azo layer under UV illumination, whereas the thicknesses of the Azo-BT layer remain comparable for both isomers. This difference in behavior is attributed to the ordering of the trans-molecules in the layers, which is more pronounced for Azo-BT, leading to a narrow distribution of the inclination angle to the gold surface. Conversely,... [more]

Under the conditions of drilling in gravel-bearing and heterogeneous stratas, the movement and force of the PDC bit during drilling are highly unstable. Irregular impact loads often cause fatigue failures such as tooth fracture, tooth breakage and delamination of the composite sheet. Dynamic impact load is the main cause of fatigue failure of cutting-tooth, which seriously affects the rock-breaking performance of PDC bits. This paper proposes a flexible cutting tooth unit consisting of a central tooth, an elastic element, and a base. The technical concept of flexible-cutting rock breaking is to reduce the impact load amplitude suffered during the cutting process to a certain threshold range by setting elastic elements or reducing the support stiffness of the cutting tooth, so as to inhibit the expansion of micro defects caused by the impact dynamic load of cutting teeth and prolong the service life of drill bits. The finite-element models of flexible cutting teeth for rock cutting were... [more]

Waste concrete powder (WCP) is emerging as a potential method of adoption for CO2 sequestration due to its ability to chemically react with carbon dioxide and trap it within its structure. This study explores the application of artificial intelligence (AI) and the Marine Predators Algorithm (MPA) to maximize the absorption of CO2 from waste concrete powder generated by recycling plants for building and demolition debris. Initially, a model is developed to assess CO2 uptake according to carbonation time (CT) and water-to-solid ratio (WSR), utilizing the adaptive neuro-fuzzy inference system (ANFIS) modeling approach. Subsequently, the MPA is employed to estimate the optimal values for CT and WSR, thereby maximizing CO2 uptake. A significant improvement in modeling accuracy is evident when the ANOVA method is replaced with ANFIS, leading to a substantial increase of approximately 19% in the coefficient of determination (R-squared) from 0.84, obtained through ANOVA, to an impressive 0.999... [more]