This paper deals with a mathematical modeling of flow stability of Newtonian and non-Newtonian fluids in the gap between two concentric cylinders, one of which rotates. A typical feature of the flow is the formation of a vortex flow, so-called Taylor vortices. Vortex structures are affected by the speed of the rotating cylinder and the physical properties of the fluids, i.e., viscosity and density. Analogy in terms of viscosity is assumed for non-Newtonian and magnetorheological fluids. Mathematical models of laminar, transient and turbulent flow with constant viscosity and viscosity as a function of the deformation gradient were formulated and numerically solved to analyze the stability of single-phase flow. To verify them, a physical experiment was performed for Newtonian fluids using visualizations of vortex structures—Taylor vortices. Based on the agreement of selected numerical and physical results, the experience was used for numerical simulations of non-Newtonian magnetorheologi... [more]

In systems biology, biological phenomena are often modeled by Ordinary Differential Equations (ODEs) and distributed in the de facto standard file format SBML. The primary analyses performed with such models are dynamic simulation, steady-state analysis, and parameter estimation. These methodologies are mathematically formalized, and libraries for such analyses have been published. Several tools exist to create, simulate, or visualize models encoded in SBML. However, setting up and establishing analysis environments is a crucial hurdle for non-modelers. Therefore, easy access to perform fundamental analyses of ODE models is a significant challenge. We developed SBMLWebApp, a web-based service to execute SBML-based simulation, steady-state analysis, and parameter estimation directly in the browser without the need for any setup or prior knowledge to address this issue. SBMLWebApp visualizes the result and numerical table of each analysis and provides a download of the results. SBMLWebAp... [more]

Background: The outbreak of the coronavirus (SARS-CoV-2) has drastically affected the human population and caused enormous economic deprivation. It belongs to the β-coronavirus family and causes various problems such as acute respiratory distress syndrome and has resulted in a global pandemic. Though various medications have been under trial for combating COVID-19, specific medicine for treating COVID-19 is unavailable. Thus, the current situation urgently requires effective treatment modalities. Nigella sativa, a natural herb with reported antiviral activity and various pharmacological properties, has been selected in the present study to identify a therapeutic possibility for treating COVID-19. Methods: The present work aimed to virtually screen the bioactive compounds of N. sativa based on the physicochemical properties and docking approach against two SARS-CoV-2 enzymes responsible for crucial functions: 3CLpro (Main protease) and NSP15 (Nonstructural protein 15 or exonuclease). Ho... [more]

Studying the characteristics of wind speed is essential in wind speed prediction. Based on long-term observed wind speed data, fractal dimension analysis of wind speed was first conducted at different scales, and persistence in wind speed was evaluated based on fractal dimensions in this paper. To propose a more accurate model for wind speed prediction, the wavelet decomposition method was applied to separate the high-frequency dynamics of wind speed data from the low-frequency dynamics. Chaotic behaviors were studied for each decomposed component using the largest Lyapunov exponents method. A proposed hybrid prediction method combining wavelet decomposition, a chaotic prediction method and a Kalman filter method was investigated for short-term wind speed prediction. Simulation results showed that the proposed method can significantly improve prediction accuracy.

Vanes and baffles are often used as flow distributors where uniform flow is required in the apparatus of large cross-section surface areas. As an alternative, perforated plates with a range of open area ratios are applied to produce required gas flow homogeneity. Usually, the plates with various open area ratios are combined into large panels, of which total surface area can reach hundreds of square meters for large-sized industrial apparatus. Numerical modelling of the flow through such panels can be thought of as overly complex, time-consuming, and inefficient due to numerous small open area ratios in the plates and large differences in dimensions between open area ratios and free-stream areas. For this reason, numerical models of gas flow are limited to single plates only with constant open area ratios. A new indirect modelling approach of gas flow through the perforated plates panel with structural elements and various open area ratios with application of the porous media model is... [more]

Tourism makes a significant contribution to the economy of almost every country, so accurate demand forecasting can help in better planning for the government and a range of stakeholders involved in the tourism industry and can aid economic sustainability. Machine learning models, and in particular, deep neural networks, can perform better than traditional forecasting models which depend mainly on past observations (e.g., past data) to forecast future tourist arrivals. However, search intensities indices (SII) indicators have recently been included as a forecasting model, which significantly enhances forecasting accuracy. In this study, we propose a bidirectional long short-term memory (BiLSTM) neural network to forecast the arrival of tourists along with SII indicators. The proposed BiLSTM network can remember information from left to right and right to left, which further adds more context for forecasting in memory as compared to a simple long short- term memory (LSTM) network that c... [more]

This study focused on heavy gas dispersion under the terrain conditions of street canyons. The effects of street aspect ratio and height ratio were investigated, and the influence of environmental wind speed in the typical ideal street canyon terrain was explored. The results indicated that the surrounding flow field distributions in street terrains were dominated by higher buildings. In addition, when the building height was held constant, the flow field was affected by the joint influence of the two isolated buildings. The interception effect of the street canyon on upstream pollutants declined with the decrease in the street canyon’s aspect ratio. In addition, when the height ratios were different, a large quantity of upstream pollutants accumulated on the windward side of higher buildings. The relative concentration per unit area inside the canyon was affected by the air circulation inside and outside the canyon and the size of the dispersion space. The increase in the environmenta... [more]

Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2) is a type of Ribonucleic Acid (RNA) coronavirus and it has infected and killed many people around the world. It is reported that the receptor binding domain of the spike protein (S_RBD) of the SARS-CoV-2 virus is responsible for attachment to human angiotensin converting enzyme II (ACE2). Many researchers are attempting to search potential inhibitors for fighting SARS-CoV-2 infection using theoretical or experimental methods. In terms of experimental and theoretical research, Cefuroxime, Erythromycin, Lincomycin and Ofloxacin are the potential inhibitors of SARS-CoV-2. However, the interactive mechanism of the protein SARS-CoV-2 and the inhibitors are still elusive. Here, we investigated the interactions between S_RBD and the inhibitors using molecular dynamics (MD) simulations. Interestingly, we found that there are two binding sites of S_RBD for the four small molecules. In addition, our analysis also illustrated that hydro... [more]

Enzymatic hydrolysis processes can be used to produce organic nutrient media from renewable raw materials. However, many of these processes are not optimally designed, so expensive enzymes and substrates are wasted. Mathematical models and Digital Twins (DTs) are powerful tools, which can be used to optimize bioprocesses and, thus, increase the yield of the desired products. Individual enzymatic hydrolysis processes have already been modeled, but models for the combined starch hydrolysis and proteolysis, or DTs, are not available yet. Therefore, an easily adaptable, dynamic, and mechanistic mathematical model representing the kinetics of the enzymatic hydrolysis process of the combined starch hydrolysis and proteolysis was developed and parameterized using experimental data. The model can simulate the starch hydrolysis process with an agreement of over 90% and the proteolysis process with an agreement of over 85%. Subsequently, this model was implemented into an existing DT of a 20 L s... [more]

Currently, a large amount of information is presented graphically. However, visually impaired individuals do not have access to visual information. Instead, they depend on tactile illustrations—raised lines, textures, and elevated graphics that are felt through touch—to perceive geometric and various other objects in textbooks. Tactile graphics are considered an important factor for students in the science, technology, engineering, and mathematics fields seeking a quality education because teaching materials in these fields are frequently conveyed with diagrams and geometric figures. In this paper, we conducted a systematic literature review to identify the current state of research in the field of automatic tactile graphics generation. Over 250 original research papers were screened and the most appropriate studies on automatic tactile graphic generation over the last six years were classified. The reviewed studies explained numerous current solutions in static and dynamic tactile gra... [more]

In this paper, a new DEM calibration procedure based on two different types of procedures to compare simulation with experiments is proposed. The aim is to find the values of the interfacial adhesive surface energy and the coefficient of rolling friction between the particles to be used in the simulation. The approach adopted is the so-called Bulk Calibration method. The experimental values of the angle of repose and unconfined yield strength, found with a static testing method and by shear testing, respectively, are compared, respectively, with the angle of repose, found in a simulation reproducing the experimental procedure, and the unconfined yield strength, obtained from an idealized uniaxial testing procedure. The simulated DEM particles are spheres equipped with the Hertz Mindlin with JKR contact model. The results suggest that a bulk calibration approach is not able to provide results that are consistent with two simple bulk property evaluations and, therefore, direct ways to es... [more]

The cancelation of bookings puts a considerable strain on management decisions in the case of the hospitability industry. Booking cancelations restrict precise predictions and are thus a critical tool for revenue management performance. However, in recent times, thanks to the availability of considerable computing power through machine learning (ML) approaches, it has become possible to create more accurate models to predict the cancelation of bookings compared to more traditional methods. Previous studies have used several ML approaches, such as support vector machine (SVM), neural network (NN), and decision tree (DT) models for predicting hotel cancelations. However, they are yet to address the class imbalance problem that exists in the prediction of hotel cancelations. In this study, we have shortened this gap by introducing an oversampling technique to address class imbalance problems, in conjunction with machine learning algorithms to better predict hotel booking cancelations. A c... [more]

Considering the advantages that dynamic reactive power (var) equipment (such as synchronous condensers (SCs), which can control var independently and improve voltage stability), SCs are widely used in AC/DC hybrid power grid to provide emergency var and voltage support. In order to evaluate the dynamic var reserve capacity of SCs and analyze the influence of SCs on the operation characteristics of power system, a model with double-infeed line-commutated converter-based high-voltage direct currents (LCC-HVDCs) and SCs is established. Through theoretical derivation and PSCAD/EMTDC simulation, the effects of SCs on the operation characteristics of double-infeed LCC-HVDCs networks are studied. Then, the non-smooth voltage waveform of electromagnetic transient simulation is approximately transformed into smooth waveform by data fitting method. Finally, the processed voltage waveform is searched step by step to explore the boundary of voltage safety region to determine the dynamic var reserv... [more]

In this study, a three-dimensional model with actual clearances was established for a scroll oil pump, and the internal flow was simulated by the CFD method. The internal flows at different rotation angles were studied, and the cavitation and pressure pulsation in the scroll pump under different working conditions were analyzed. The results show that the flow in the two working chambers of the scroll pump is asymmetric due to its structural characteristics and motion mode. The high-pressure pulsation occurs in the working chamber during the end of the suction and the beginning of discharge. Under the action of high-pressure difference, there is a high-speed jet in the clearance between the orbiting and fixed scrolls, which causes a large area of cavitation downstream of the clearance. Under a low suction pressure, cavitation intensifies with the increase in rotating speed, which leads to a decrease in volumetric efficiency. It can effectively improve cavitation by increasing the suctio... [more]

To understand the phenotypic capabilities of organisms, it is useful to characterise cellular metabolism through the analysis of its pathways. Dynamic mathematical modelling of metabolic networks is of high interest as it provides the time evolution of the metabolic components. However, it also has limitations, such as the necessary mechanistic details and kinetic parameters are not always available. On the other hand, large metabolic networks exhibit a complex topological structure which can be studied rather efficiently in their stationary regime by constraint-based methods. These methods produce useful predictions on pathway operations. In this review, we present both modelling techniques and we show how they bring complementary views of metabolism. In particular, we show on a simple example how both approaches can be used in conjunction to shed some light on the dynamics of metabolic networks.

The digital twin has emerged as a crucial technology for smart production. The Asset Administration Shell (AAS) is a standard tool that can support the digital representation of a process plant. We present a method to use AAS coupled with ISO 15926 to facilitate the exchange of maintenance data in process plants. To accomplish this, the operation and maintenance (O&M) system framework employed in process plants is defined. Information requirements are derived based on this framework, and a maintenance data structure is designed. Along with this, reference data are applied to identify the types of equipment and properties of each equipment type using ISO 15926. According to the pre-designed data structure, a neutral format based on AAS is developed to exchange maintenance data among software systems in O&M. The neutral format is verified through a test case of exchanging maintenance data (equipment condition and health status data) in terms of applicability to O&M systems in the field a... [more]

Process reliability and quality output are critical indicators for the upscaling potential of a fabrication process on an industrial level. Fused filament fabrication (FFF) is a versatile additive manufacturing (AM) technology that provides viable and cost-effective solutions for prototyping applications and low-volume manufacturing of high-performance functional parts, yet is defect-prone due to the inherent aspect of parametrization. A systematic yet parametric workflow for quality inspection is therefore required. The work presented describes a versatile and reliable framework for automatic defect detection during the FFF process, enabled by artificial intelligence-based computer vision. Specifically, state-of-the-art deep learning models are developed for in-line inspection of individual thermoplastic strands’ surface morphology and weld quality, thus defining acceptable limits for FFF process parameter values. We examine the capabilities of an NVIDIA Jetson Nano, a low-power, high... [more]

The production of catalysts such as zeolites is a complex multiscale and multi-step process. Various material properties, such as particle size or moisture content, as well as operating parameters—e.g., temperature or amount and composition of input material flows—significantly affect the outcome of each process step, and hence determine the properties of the final product. Therefore, the design and optimization of such processes is a complex task, which can be greatly facilitated with the help of numerical simulations. This contribution presents a modeling framework for the dynamic flowsheet simulation of a zeolite production sequence consisting of four stages: precipitation in a batch reactor; concentration and washing in a block of centrifuges; formation of droplets and drying in a spray dryer; and burning organic residues in a chain of rotary kilns. Various techniques and methods were used to develop the applied models. For the synthesis in the reactor, a multistage strategy was us... [more]

During the process of gas production in high-pressure, high-temperature (HPHT) gas wells, the choke valve, as the most vital component of the surface control equipment, plays a significant role in regulating the output and reducing the fluid pressure to ensure the safety of surface gathering and transportation equipment. High-pressure, high-velocity fluid flow and solid-phase particles cause deterioration of the choke valve. With the enhancement of intelligent and digital oilfields, conventional choke valves have been progressively replaced by electric choke valves. Due to the complex structure of the throttle valve, the flow path and the velocity state of the fluid in the throttle valve, and the distribution law of the erosion fraction are quite distinctive from those in the ordinary throttle valve, meriting further research. In this paper, a simulation of computational fluid dynamics (CFD) was conducted to determine the effects of the pressure distribution, fluid state, divergent par... [more]

This manuscript is related to a formulation for modelling cellulose pyrolysis with a pseudo-equilibrium approach. The objective is to model the kinetics of the cellulose pyrolysis with a semi-global mechanism obtained from the literature in order to obtain the yield and the rate of formation, mainly that of char. The pseudo-equilibrium approach consists of the assumption that the solid phase devolatilisation can be described kinetically—at a finite rate—thus preserving the competitive characteristic between the production of char and tar, while the gas phase can be described directly by means of chemical equilibrium. The aforementioned approach gives a set of ordinary, linear, and nonlinear differential equations that are solved numerically with a consistent numerical scheme (i.e., the Totally Implicit Euler method). Chemical equilibrium was solved using CANTERA coupled with a code written in MATLAB. The results showed that the scheme preserved the tar-gas competitive characteristic fo... [more]

The effect of amino esters of boric acid (AEBA) on the conditions of vapor−liquid equilibrium in binary mixtures of acetonitrile−water, ethanol−acetonitrile and a three-component mixture of ethanol-acetonitrile-water was investigated. Residual curves and vapor−liquid phase equilibrium conditions (TPXY data) were experimentally measured at atmospheric pressure for a binary mixture of acetonitrile-AEBA and a triple mixture of acetonitrile-water-AEBA. Previously unknown energy binary parameters of groups B, CH2N with group CH3CN were determined for the UNIFAC model. The correction of the value of the binary parameter water—acetonitrile was carried out. On the basis of thermodynamic modeling, the degree of influence of AEBA on the relative volatility of acetonitrile in binary and ternary mixtures was analyzed. It is shown that the use of AEBA removes all azeotropic points in the studied mixtures. In this case, acetonitrile turns out to be a volatile component, and water is a non-volatile c... [more]

We have developed a 17-channel (150 GHz-spacing) athermal arrayed waveguide grating (AAWG), which has a wider operation range than that of the existing AWGs, by designing a metal structure assembly that reduces the temperature dependence of the wavelength. For an operation temperature range from −40 °C to 85 °C, the center wavelengths of all channels had a wavelength stability of ±0.04 nm and the insertion loss variation was less than ±0.78 dB. The accelerated life test showed that the predicted service life was expected to be more than 41.7 years.

A systematic process analysis was conducted to study the effect of the main variables in an industrial electrostatic desalter, such as electric field intensity, wash water content, droplet size, and oil viscosity, on the efficiency of the separation of water from oil. The analysis was assessed through an already published and validated CFD multiphase numerical model that considers the expression of the frequency of collisions as a function of the mentioned process variables. Additionally, the study allowed the formal optimization exercise of the operation to maximize the separation efficiency. The most significant variables were the initial water content and the electric field intensity, while the temperature (oil viscosity) had an effect to a lower extent. An increase in the electric field and temperature and a decrease in the water content improved the water separation from oil. Optimum values suggested from the factorial experimental design and the optimization implemented in this w... [more]

The soil mulching device plays an important role in the sowing stage of crops. Compared with the traditional narrow film planting mode, under the ultra-wide film planting mode adopted by crops in arid areas, the soil transportation distance inside the soil mulching device increases, resulting in the problem of uneven soil coverage thickness between sowing rows, which seriously affects the crop emergence rate. There are many methods available to solve the problems of ultra-wide film planting, such as theoretical analysis and discrete element method (DEM) simulation. In this paper, we design a covering device consisting primarily of the soil disc and the cylindrical sealer. By constructing and analyzing a mechanical model of the soil mulching device, the parameters related to the working performance are determined. In order to further optimize the parameters, the simulation model of the device and soil operation process is established by using DEM software. We design a single-factor simu... [more]

Vascular dementia (VD) is a cognitive impairment typical of advanced age with vascular etiology. It results from several vascular micro-accidents involving brain vessels carrying less oxygen and nutrients than it needs. This being a degenerative disease, the diagnosis often arrives too late, when the brain tissue is already damaged. Thus, prevention is the best solution to avoid irreversible cognitive impairment in patients with specific risk factors. Using the machine learning (ML) approach, our group evaluated Mini-Mental State Examination (MMSE) changes in patients affected by Alzheimer’s disease by considering different clinical parameters. We decided to apply a similar ML scheme to VD due to the consistent data obtained from the first work, including the assessment of various ML models (LASSO, RIDGE, Elastic Net, CART, Random Forest) for the outcome prediction (i.e., the MMSE modification throughout time). MMSE at recruitment, folate, MCV, PTH, creatinine, vitamin B12, TSH, and he... [more]