The evaluation of flotation reagents performs an important role in the selection and green application of reagents. The green indexes and effect indexes of flotation collectors were selected by data literature method, system analysis method, mathematical model method, and qualitative and quantitative analysis method, and the green evaluation system of flotation collectors, flotation effect evaluation system, and comprehensive evaluation system of flotation collectors were established. The normalization method and expert evaluation methods were adopted to obtain the grade classification of quantitative and qualitative indicators, respectively. The analytic hierarchy process (AHP) was used to determine the weight of secondary indicators and tertiary indicators of the evaluation system and the weight of indicators at a lower level. Applying the fuzzy comprehensive evaluation (FCE), the trapezoidal function is selected to determine the index affiliation, the index system score is calculate... [more]

Up to 80% of hydrogen production is currently carried out through CO2 emission-intensive natural gas reforming and coal gasification. Water-splitting electrolysis using renewable energy (green H2) is the only process that does not emit greenhouses gases, but it is a quite energy-demanding process. To significantly contribute to the clean energy transition, it is critical that low-carbon hydrogen production routes that can replace current production methods and can expand production capacity to meet new demands are developed. A new path, alternative to steam reforming coupled with CCS (blue H2) that is based on methane cracking, in which H2 production is associated with solid carbon instead of CO2 (turquoise H2), has received increasing attention recent years. The reaction takes place inside the liquid bath, a molten metal reactor. The aim of this article is to model the main kinetic mechanisms involved in the methane cracking reaction with molten metals. The model developed was validat... [more]

The rock coring of the reservoir in the Bohai A field is difficult. The cores of the target section in the study area are loose, making it difficult to accurately measure the core-bound water saturation. The purpose of this research was to develop and validate a method for calculating a reservoir core-bound water saturation ratio using the cast thin section. First, pepper noise denoising and image enhancement were performed on the thin section by median filtering and gamma variation. Based on this, the enhanced sheet images were thresholded for segmentation by the two-dimensional OTSU algorithm, which automatically picked up the thin section pore-specific parameters. Then, the thin section image was equivalent to a capillary cross-section, while the thin film water fused to the pore surface was observed as bound water. For hydrophilic rocks with a strong homogeneity, the area of thin film water in the pore space of the sheet was divided by the total area of the pore space, which produc... [more]

The graphene oxide (GO) membrane holds great promise in desalination and green energy fields due to its naturally occurring nanochannels, which provide significant advantages in gas and ion filtration. In this study, the sizes and distributions of nanopore/channels in GO membranes and the relationship of GO flakes size and membrane thickness are explored by molecular dynamics simulations. Our results demonstrate that the size of GO flakes influences the distribution of nanopore sizes in GO membranes, while it almost has no influence on the total nanopore area in membranes with the same thickness. Additionally, our findings confirm that the total nanopore area of the GO membranes decreases exponentially as the membrane thickness increases, which is consistent with experimental observations. To expand the range of nanopore size regulation, we developed a columnar-array substrate model to create GO membranes customized for specific filtration functions, such as virus filtration. Our findi... [more]

The efficient use of coal resources and the safe operation of coal-fired boilers are hindered by high-temperature corrosion caused by corrosive sulphur components. To predict the impact of sulphur−nitrogen interactions on sulphur’s evolution and its mechanism of action, a conventional sulphur component evolution model (uS−N) and an improved sulphur component evolution model (S−N) that considers sulphur−nitrogen interactions were proposed in the present study. The models were built using OpenFOAM−v8 software for the coal combustion process, and the generation of SO2, H2S, COS, and CS2 was simulated and analysed under different air excess coefficients. The simulations were conducted to analyse the patterns of SO2, H2S, COS, and CS2 generation at different air excess factors. The results show that, compared with the uS−N condition, the simulated values of coal combustion products (SO2, H2S, COS, and CS2) under the S−N condition were closer to the experimental values, and the errors of dif... [more]

The multi-objective optimization of methanol distillation is a critical and complex issue in the methanol industry. The three-column methanol distillation scheme is first simulated with Aspen Plus to provide the initial value of the NSGA-III algorithm. The operating parameters are optimized through the Python-Aspen platform. The total annual cost and CO2 emissions are considered the objective function. A small value of indicator generational distance can be achieved by increasing the number of generations, which is helpful in improving algorithm convergence. The NSGA-III algorithm has good convergence and distribution performance. By comparing the optimized results with the original ones, the total annual cost and CO2 emissions are, respectively, reduced by 5.35% and 12.80% when the operating parameters of the methanol distillation sequence are optimized through NSGA-III. As a result, substantial economic and energy savings can be made, offering great potential to improve the performan... [more]

Laser-induced thermal crack propagation (LITP) is a high-quality and efficient processing method that has been widely used in fields such as glass cutting. However, the problem of trajectory deviation often arises in actual cutting operations, especially in asymmetric cutting. To address this issue, a low-temperature gas cooling trajectory deviation correction technique was proposed in this study. This technique modifies the temperature and stress distribution by spraying low-temperature gas onto the processing surface and maintaining a relative position with the laser, thereby correcting the trajectory deviation. The finite element simulation software ABAQUS was employed to numerically simulate the dynamic propagation of temperature fields, thermal stress, and cracks in the asymmetric linear cutting and circular cutting of soda-lime glass with the proposed low-temperature gas cooling trajectory deviation correction technique, and the correction mechanism was elucidated. In the simulat... [more]

Providing a minimum of theory, this review focuses on practical aspects of analyzing the kinetics of nonisothermal crystallization as measured with differential scanning calorimetry (DSC). It is noted that kinetic analysis is dominated by approaches based on the Avrami and Arrhenius equations. Crystallization kinetics should not be considered synonymous with the Avrami model, whose nonisothermal applications are subject to very restrictive assumptions. The Arrhenius equation can serve only as a narrow temperature range approximation of the actual bell-shaped temperature dependence of the crystallization rate. Tests of the applicability of both equations are discussed. Most traditional kinetic methods tend to offer very unsophisticated treatments, limited only to either glass or melt crystallization. Differential or flexible integral isoconversional methods are applicable to both glass and melt crystallization because they can accurately approximate the temperature dependence of the cry... [more]

Polymers can increase the viscosity of water, reduce the relative permeability of the water phase, and enhance the flowability of the oil phase; surfactants can form molecular films at the oil−water interface boundaries, thereby reducing interfacial tension. Surfactant/polymer (S/P) flooding technology for enhancing oil recovery has become a major way to increase crude oil production. This study used dissipative particle dynamics (DPD) technology to simulate the emulsification process of a four-component composite system consisting of oil, water, sodium dodecylbenzene sulfonate (SDBS), and partially hydrolyzed polyacrylamide (HPAM). By changing the concentration of the S/P system, the effect on emulsification behavior was analyzed. Combined with particle distribution diagrams and interfacial tension parameters, the effect of the emulsification behavior on the performance of the S/P binary system was analyzed. On this basis, the effect of different emulsion performances on the recovery... [more]

The comprehensive topological isomorphism of liquid−vapor, fusibility, and solubility diagrams in the proper sets of variables is proven with the aid of van der Waals equations of the shift in phase equilibrium. Analogues of Gibbs−Konovalov and Gibbs−Roozeboom laws are demonstrated in solubility diagrams of ternary and quaternary systems under crystallization of different types of solid solutions. For the demonstration, the quaternary reciprocal system K+,NH4+||Cl−,Br−−H2O and its ternary subsystems with modeling of the liquid phase within the framework of the classical Pitzer formalism are mainly used. An algorithm for calculating solubility equilibria in these systems is given.

The accurate estimation of reservoir porosity plays a vital role in estimating the amount of hydrocarbon reserves and evaluating the economic potential of a reservoir. It also aids decision making during the exploration and development phases of oil and gas fields. This study evaluates the integration of artificial intelligence techniques, conventional well logs, and core analysis for the accurate prediction of porosity in carbonate reservoirs. In general, carbonate reservoirs are characterized by their complex pore systems, with the wide spatial variation and highly nonlinear nature of their petrophysical properties. Therefore, they require detailed well-log interpretations to accurately estimate their properties, making them good candidates for the application of machine learning techniques. Accordingly, a large database of (2100) well-log records and core-porosity measurements were integrated with four state-of-the-art machine learning techniques (multilayer perceptron artificial ne... [more]

In rational drug design, the concept of molecular similarity searching is frequently used to identify molecules with similar functionalities by looking up structurally related molecules in chemical databases. Different methods have been developed to measure the similarity of molecules to a target query. Although the approaches perform effectively, particularly when dealing with molecules with homogenous active structures, they fall short when dealing with compounds that have heterogeneous structural compounds. In recent times, deep learning methods have been exploited for improving the performance of molecule searching due to their feature extraction power and generalization capabilities. However, despite numerous research studies on deep-learning-based molecular similarity searches, relatively few secondary research was carried out in the area. This research aims to provide a systematic literature review (SLR) on deep-learning-based molecular similarity searches to enable researchers... [more]

The gas explosion process in pipes is often accompanied by an intense wall heat effect. A considerable part of the explosion energy is dissipated, and the process of gas explosion and its propagationis affected. In order to study the influence of wall heat effect on gas explosion and its propagation, numerical models of gas explosion in pipes with different adiabatic degrees were established by ANSYS/LS-DYNA. The propagation process of gas explosion in pipes under the influence of the wall heat effect was numerically simulated and analyzed, and the thermal stress and temperature distribution of pipes with different adiabatic degrees were studied. The results show that with a decrease in pipe insulation, the wall heat effect increases, the heat loss of gas explosion increases, and the overpressurizationof the shock wave, the explosion intensity, and the thermal stress of the pipe wall are significantly reduced. The results indicate that the wall heat effect can weaken the gas explosion... [more]

Gas−liquid transportation is an efficient and economical transportation technology developed in recent years. It mainly uses some transportation equipment to simultaneously transport crude oil, associated natural gas, produced water, and so on for the purpose of reducing costs and energy consumption. In this paper, a double-chamber gas−liquid transferring device was selected as the research object. The VOF multiphase flow model of FLUENT software was used to simulate the gas−liquid two-phase flow performance under the design condition. The relationships between the two-phase flows, pressure, temperature, liquid level in the tank, outlet flow rate of the device, and time were calculated and analyzed. The results show that the operating cycle of the device can be divided into three processes, namely ‘suction-compression-discharge’, in which the cycle period formula is proposed as well. The pressures of gas and liquid in the device are basically the same, but the temperatures of the two p... [more]

The Xihu sag has two main oil−gas fields: Huagang Gas Field and Pinghu Oil Field. The Huagang formation is the reservoir of the Huagang Gas Field in the Central Tectonic Zone, while the Pinghu formation is the reservoir of the Pinghu Oil Field in the Western Slope Zone. In this paper, which mainly focusses on the Huagang formation, we conducted gas-driven water displacement−magnetic resonance imaging (GWD-MRI) experiments to simulate the charging characteristics of the sandstone migration layer, centrifugal magnetic resonance (Cen-NMR) experiments to simulate the short-term rapid trap charging process, and semi-permeable baffle (SPB) charging experiments to simulate the slow trap accumulation process. The results indicate that a start-up pressure exists for migration layer charging, where the start-up pressure for a core with a permeability of 0.3 mD is about 0.6 MPa. Our experimental simulations confirm that a planar front of changing water saturation exists, which has a width of abou... [more]

The Zeta converter is an essential and widely used high-order converter. The current modeling studies on Zeta converters are based on the model that devices, such as capacitors and inductors, are of integer order. For this reason, this paper takes the Zeta converter as the research object and conducts an in-depth study on its fractional-order modeling. However, the existing modeling and analysis methods have high computational complexity, the analytical solutions of system variables are tedious, and it is difficult to describe the ripple changes of state variables. This paper combines the principle of harmonic balance with the equivalent small parameter method (ESPM); the approximate analytic steady-state solution of the state variable can be obtained in only three iterative steps in the whole solving process. The DC components and ripples of the state variables obtained by the proposed method were compared with those obtained by the Oustaloup’s filter-based approximation method; the s... [more]

The effects of applying external electric fields on the coefficient of friction of a selected elastomer during mechanical interaction with steel and copper surface oil (counter samples) immersed in a pin-on-disc setup were studied and investigated. The synthetic base oils used were PAG 68 and PAO 6. The elastomer selected for the study is commonly used in the manufacture of rotary lip seals. During the investigations, the viscosity of the oils tested was also experimentally determined in the temperature range of between 286 K and 393 K. It was found that the external electric field had a significant effect on the friction coefficient, depending on the type of base oil, the angular velocity of the load force, and the counterpart. It was observed that for both oils tested, the coefficient of friction values decreased by about 30% when an external DC electric field was applied. In addition, a simple numerical model of the friction interface was proposed and studied. The experimental resul... [more]

Urban building energy models present a valuable tool for promoting energy efficiency in building design and control, as well as for managing urban energy systems. However, the current models often overlook the importance of site-specific characteristics, as well as the spatial attributes and variations within a specific area of a city. This methodological paper moves beyond state-of-the-art urban building energy modeling and urban-scale energy models by incorporating an improved place-based approach to address this research gap. This approach allows for a more in-depth understanding of the interactions behind spatial patterns and an increase in the number and quality of energy-related variables. The paper outlines a detailed description of the steps required to create urban energy models and presents sample application results for each model. The pre-modeling phase is highlighted as a critical step in which the geo-database used to create the models is collected, corrected, and integra... [more]

Accurate estimations and assessments of vehicle emissions can support decision-making processes. Current emission estimation tools involve several calculation methods that provide estimates of the exhaust components that result from driving on urban arterial roads. This is an important consideration, as the emissions generated have a direct impact on the health of pedestrians near the roads. In recent years, there has been an increase in the use of emission models, especially in combination with traffic simulator models. This is because it is very difficult to obtain an actual measurement of road emissions for all vehicles travelling along the analysed road section. This paper concerns a review of selected traffic simulations and the estimation of exhaust gas components models. The models presented have been aggregated into a group with respect to their scale of accuracy as micro, meso, and macro. This paper also presents an overview of selected works that combine both traffic and emis... [more]

Building a reliable energy model for old residential buildings with insufficient documentation and user assistance is a challenging and time-consuming task. Nevertheless, the ambitious European decarbonization targets require this building stock to be renovated, making energy assessment a key priority. In line with this goal, the following study explores a more simplified and automatic framework to generate a residential building energy model (BEM). The paper’s approach is based on the concept of urban building energy modelling (UBEM) archetypes or building prototypes and is customized according to the principles of dynamic simulations performed in the existing BEM software, Integrated Environmental Solutions Virtual Environment IES VE, and Solemma Open Studio. Therefore, based on three real starting inputs, a prototype database (DB) of assigned inputs is generated, i.e., an input matrix, using Google Maps as a geometry source. Other data are drawn from tabular DB. The proposed approac... [more]

Generally, greenhouses are high energy-consuming, sometimes accounting for 50% of the cost of greenhouse production. Geothermal energy plays a very important role in maintaining the desired temperature and reducing energy consumption. This work deals with a project of a hybrid heating plant (97% geothermal energy and 3% gas-condensing boiler) for the innovative Plant Phenotyping Greenhouse at the University Campus in Grugliasco (few km West of the city of Turin). The aim of the study is to testify to the energy efficiency of this kind of hybrid plant as well as its economic sustainability. Numerical simulations of a GRT were used to calibrate the system and verify that the software reasonably modeled the real case. They helped to correctly size the geothermal plant, also providing data about the thermal energy storage and production during on and off plant cycles. The results show a thermal power of 50.92 kW over 120 days of plant operation, in line with the expected energy needs to me... [more]

Logistics and transport are major sources of energy consumption that still rely heavily on fossil fuels. Especially in the freight sector, finding means to optimise fuel consumption and energy efficiency are increasingly important. Digital twins’ adaptation in logistics and transport is not as frequent as in production, but their implementation potential is immense. This technology can replicate real environments, allowing verification of various scenarios without real-life application, leading to optimal implementation outcome faster and more efficiently. This paper aims to research digital twins’ use in logistics and transport, focusing on digital twins’ potential and effects to optimise energy consumption. Firstly, previous research on digital twins in specified fields was identified, followed by a quantitative literature review. The latter focused on codifying the selected publications based on criteria such as modality, specific environment, energy consumption, etc. Furthermore, a... [more]

Down-the-hole (DTH) hammer drilling with reverse circulation is a novel, mobile, high-speed drilling system suitable for the specific requirements of mine rescue. This technology can be applied to shorten the rescue time during mine accidents. The performance of reverse circulation (RC) drilling depends on the structural design of the drill bit. An orthogonal experimental design is executed to investigate the effect of the structural design parameters of the large-diameter drill bit for drilling rescue wells on the cutting carrying capacity and reverse circulation performance. This study employs computational fluid dynamics (CFD) software to solve the Navier−Stokes equation for three-dimensional steady flow and calculate the flow field around the drill bit to evaluate the RC efficiency. Six key geometric parameters were proven to have a direct influence on the RC performance, including the diameter of suction nozzles Dn, the length of nozzles L, the quantity of nozzles N, the diameter... [more]

There has been growing interest in applying the DEM (discrete element method) to study the charging and burden distribution in a BF (blast furnace). In practice, the real particles in a BF are non-spherical. However, spherical particles have mostly been used in previous DEM investigations. Furthermore, various particle models have been developed to describe non-spherical particles. However, the effects of using different particle models on particle behavior in a BF are still unclear. Therefore, a comparative study of how the particle shape model impacts the burden charging in a BF was conducted. Specifically, the DEM using a multi-sphere model, polyhedral model, and super-ellipsoid model was first established. Then, experiments and DEM simulations of the charging and burden distribution of non-spherical quartz sand particles in a lab-scale bell-less top BF were performed. The results indicated that the number of sub-spheres, the principle of creating the particle for multi-spheres, the... [more]

The harnessing and utilization of tidal current energy have emerged as prominent topics in scientific inquiry, due to their vast untapped resource potential, leading to numerous investigations into the efficacy of hydrokinetic turbines under various operational conditions. This paper delineates the wake field characteristics and performance of horizontal axis tidal stream turbines under the influence of support structures, using a comprehensively blade-resolved computational fluid dynamics (CFDs) model that employs Reynolds-averaged Navier−Stokes (RANS) equations in combination with the RNG k-ε turbulence model. To achieve this, the study utilized experimental tank tests and numerical simulations to investigate the distribution characteristics and recuperative principles of the turbine’s wake field. The velocity distribution and energy augmentation coefficient of the wake field showed strong agreement with the experimental results. To further assess the effect of support structures on... [more]