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]

To solve the problem of grain loss caused by nibbling during the working process of the maize ear and stem harvesting machine, a vibrating screen-type grain-recovery device with an upper centrifugal fan was designed. The device mainly consists of a centrifugal fan and vibrating screen. The work process of the grain-recovery device is theoretically analyzed, and it is clarified that the turning of the bracts is the key to separating the bracts from the grains, and the design criteria of the vibrating screen are obtained. The CFD−EDEM coupled single-factor simulation experiment was carried out on the size of the vibrating screen sieve hole and the number of draft bars, and the motion posture of the bracts was simulated. Based on the previous CFD−EDEM coupled simulation study, the orthogonal experiment was carried out on the fan speed, vibration screen drive-shaft speed, and operation speed of the grain-recovery device. The orthogonal experimental results show that, when the fan speed is... [more]

The rising trend towards continuous production in the field of small-scale crystallization has generated many creative concepts for apparatuses for the production of active pharmaceutical ingredients. One of these promising apparatuses is the Slug Flow Crystallizer (SFC), which enables the adjustment of the particle size distribution and the achievement of high yields through its alternating slug flow. To realize and understand the crystallization inside the SFC, high experimental effort has been necessary until now. Therefore, a mechanistic model considering the hydrodynamics of slug flow, the energy and mass balances, and the crystallization phenomena of growth and agglomeration inside the apparatus was developed. Its purpose is to improve the understanding of the process, estimate the effects of operating parameters on target properties, and predict crystallization behavior for different substance systems with minimal experimental effort. Successful modeling was validated with exper... [more]

This work primarily investigates the performance and structural integrity of the Wells turbines for power production in coastal locations and their associated unmanned vehicles. An innovative design procedure is imposed on the design stage of the Wells turbine and thus so seven different models are generated. In the first comprehensive investigation, these seven models underwent computational hydrodynamic analysis using ANSYS Fluent 17.2 for various coastal working environments such as hydro-fluid speeds of 0.34 m/s, 1.54 m/s, 12 m/s, and 23 m/s. After this primary investigation, the best-performing Wells turbine model has been imposed as the second comprehensive computational investigation for three unique design profiles. The imposed unique design profile is capable of enhancing the hydro-power by 15.19%. Two detailed, comprehensive investigations suggest the best Wells turbine for coastal location-based applications. Since the working environments are complicated, additional advance... [more]

The multi-stage pulse competition of pressurized pulsed water jet becomes the initial pulse at the head tip, and hydraulic parameters are the key parameters that affect the characteristics of multiple pulses. Based on the ultra-high-speed imaging system, a pressurized pulsed water jet flow field capture system was constructed, and the effects of initial pressure and driving pressure of the pressurized chamber on the characteristics of multi-stage pulses were studied. The experimental results show that as the initial pressure of the booster chamber increases, the jet changes from a discontinuous state to a continuous state, and the multi-level pulse simultaneously changes from dominant multi-pulse to implicit multi-pulse; as the driving pressure increases, the initial spacing between the first pulse and the second pulse increases, and the peak velocity of the initial pulse gradually increases. At the same time, the location of the peak velocity also shifts away from the nozzle as the dr... [more]

Severe erosion phenomena often occur in industrial polycrystalline silicon units, leading to hydrogen leakage accidents and affecting long-term operation. It is favorable to use a computational fluid dynamics (CFD) simulation with the dense discrete phase model (DDPM) and the sub-grid energy-minimization multi-scale (EMMS) drag model to improve the prediction accuracy of complex multiphase erosion phenomena in a connecting pipe of an industrial polycrystalline silicon unit. Furthermore, the effect of droplet the specularity coefficient on boundary conditions is thoroughly considered. The predicted erosion behaviors are consistent with industrial data. The effects of operations parameters were discussed with three-dimensional CFD simulation, including droplet size and hydrogen volume fraction on erosion behaviors. The results indicated that the non-uniform multiphase erosion flow behavior near the wall can be simulated accurately with the EMMS drag model in a coarse mesh. A suitable dro... [more]

Vacuum freeze-dried products exhibit properties characteristic of porous media, rendering them superior in both drying and rehydration capabilities. However, the process of sublimation drying is constrained by its substantial time and energy costs. To comprehensively grasp its technological process and identify the optimal process parameters, the cellular automata method was employed for sublimation process simulation. Carrot slices, measuring 10 mm in thickness and 40 mm in radius, were selected for both simulation and experimentation. The sublimation process was characterized using a two-dimensional heat and mass transfer equation, inclusive of a dusty gas model. Additionally, a cellular automaton model was applied to simulate the mass transfer process, temperature, and moisture content changes in the sublimation drying stage. Then, the accuracy of the model was verified through experimentation. There was a remarkable alignment between simulation and experimental outcomes, with deter... [more]

The present work is a numerical analysis of electro-thermo convection, occurring in a square differentially heated cavity filled with a dielectric fluid. The cavity experiences the combined effects of viscous, electrical, and thermal forces. The equations modelling the physical problem are solved via the finite volume approach. The study focuses on the effect of cavity tilt on the fluid flow structure and thermal performance inside the enclosure under the action of an electric field. A parametric study was performed, where the tilt angle is getting varied between 0° and 90°, as well as the Rayleigh number (5000 ≤ Ra ≤ 250,000) and the electric field (0 ≤ T ≤ 800). Furthermore, the electric charge injection level C, the mobility M and the Prandtl Pr numbers were all adjusted to a value of 10. The obtained results demonstrate that the hydrodynamic and thermal fields are significantly impacted by the cavity inclination. In addition, regardless of the thermal Rayleigh’s number, high electr... [more]

This paper presents a comprehensive computational fluid dynamics (CFD) model for describing the oxidative coupling of methane (OCM) carried out in fixed-bed reactors for olefin production. Initially, a single pellet model was developed and implemented to describe the heat and mass transfer within the pellet and between the gaseous and solid phases. Subsequently, sensitivity analyses were performed to assess the impact of pellet arrangement and feed conditions on the heat and mass transfer rates, subsequently affecting concentration and temperature profiles. As indicated by the simulations, a high ethylene content could be obtained with the increase in the CH4/O2 ratio, aligning well with previous experimental studies. Furthermore, it was observed that pellet arrangement can significantly affect the reactor performance. Additionally, the behavior of temperature and concentration in the gaseous and solid phases can be very different, such that pseudo-homogeneous modeling approaches shoul... [more]

Carbon dioxide (CO2) is widely used in the prevention and control of spontaneous coal combustion. In this manuscript, three low-rank coals with different metamorphic degrees were selected as the research objects. The temperature-programmed experiments, in situ infrared cooling experiments, simulation of the competitive adsorption of CO2 and oxygen (O2) in coal pores, and simulation study of the CO2 inhibition of the coal oxygen composite reaction were used to obtain the role and effect of CO2 in preventing oxygen adsorption in coal at the low-temperature oxidation stage. It was concluded that CO2 can displace the O2 near the pore wall to physically prevent the adsorption of O2. Through the changing law of heating rate and a kinetics analysis, it was found that CO2 can increase its activation energy by 5.3−108.3% during the slow heating stage of coal and reduce its heat rate. At around 120 °C, coal loses the protective effect of CO2. From the changes in functional groups, it can be seen... [more]

Separating heavy components from natural gas not only enhances safety, improves pipeline transportation, ensures product quality, and addresses environmental considerations, but it also exerts an influence on global energy trends. Therefore, separating heavy components is necessary and can result in beneficial goods. This article presents a comprehensive study on the process simulation and optimization of the recovery of natural gas condensate via the combined refrigeration of a mixture of ethane and propane as a refrigerant. The optimization objectives include maximizing the recovery of ethane and propane, minimizing energy consumption, and achieving desired product quality targets. A sensitivity analysis was performed to assess the impact of key parameters on process performance. Using Aspen HYSYS software, the influence of the cooler outlet stream temperature and expander outlet stream pressure on the shaft power and profit of a dry gas compressor was analyzed based on the operating... [more]

In recent years, lithologic oil and gas reservoirs have become an important target in continental hydrocarbon-bearing basins. Geophysical prospecting technology using seismic data is an indispensable tool for oil and gas exploration. However, while previous work has paid much attention to the seismic responses of reservoirs (sandstones), the seismic responses of depositional sequences composed of sandstone−mudstone cycles are not well understood in reservoir prediction. This problem seriously restricts efficient oil−gas exploration and development. The Cretaceous Baxigai Formation in the Yingmaili area, west of the Tabei Uplift, is an important exploration target for lithologic oil and gas reservoirs in the Tarim Basin. The Baxigai Formation is deeply buried with thin thickness. The Baxigai Formation in the study area is divided into a lower sandstone section and an upper mudstone section. Braided river delta sand bodies are developed in the lower sandstone section, and braided river d... [more]

Currently, most explored oil fields in Russia are at a late stage of development, and in order to maintain high levels of oil production, it is rational to put into operation fields with hard-to-recover reserves. For complicated oil fields, in particular fields with high-viscosity oil, the known traditional methods of development are ineffective. Therefore, the search for new technologies for the development and operation of such fields to significantly increase oil recovery and intensify production is of fundamental importance. One such method of heat treatment of the bottomhole formation zone is the use of heat and gas generating systems on site. In this work, new results were obtained on physical modeling of thermochemical reaction initiation with delayed-action catalyst (2,2-bis(hydroxymethyl)butanoic acid) filtration tests on composite core models of sandstone and carbonate with foam heat generation and initiating additives of binary type. Using hydrodynamic modelling, the results... [more]

High-speed water jets are widely used in deep mining and the in-depth study of jet characteristics helps to improve drilling efficiency. Three-dimensional Large Eddy Simulation is used to simulate turbulent flows generated by an organ-pipe nozzle. The simulation is validated with existing experimental data and is focused on the evolution and interaction of cavitation bubbles and vortices. Dynamic mode decomposition is performed to extract structural information about the different motion modes and their stability. Results show that the dominant fluid frequency is positively correlated with inlet pressure while unrelated to the divergence angle. Meanwhile, jets’ oscillation is amplified by a large divergence angle, which facilitates the occurrence of cavitation. Results about the flow field outside of an organ-pipe nozzle advance the understanding of the basic mechanism of cavitation jets.

This is the supplementary material for the Foundations of Computer Aided Process Design (FOCAPD 2024) Conference Proceedings: Novel Cost-Efficient Tributyl Citrate Production Process presented in the Systems and Control Transactions series