This paper proposes a perturbation estimation-based nonlinear adaptive control (NAC) for a voltage-source converter-based high voltage direct current (VSC-HVDC) system which is applied to interconnect offshore large-scale wind farms to the onshore main grid in order to enhance the fault ride-through (FRT) capability of Type-4 wind energy conversion systems (WECS). The VSC-HVDC power transmission system is regraded as a favourable solution for interconnecting offshore wind farms. To improve the FRT capability of offshore power plants, a de-loading strategy is investigated with novel advanced control of the VSC-HVDC systems. The proposed NAC does not require an accurate and precise model and full state measurements since the combinatorial effects of nonlinearities, system parameter uncertainties, and external disturbances are aggregated into a perturbation term, which are estimated by a high-gain perturbation observer (HGPO) and fully compensated for. As the proposed NAC is adaptive to s... [more]

Numerous laboratory tests are used to determine the appropriateness of new formulations in the development process in the paint and coatings industry. New formulations are most often functionally inadequate, unacceptable for environmental or health reasons, or too expensive. Formulators are obliged to repeat laboratory tests until one of the formulations fulfills the minimum requirements. This is cumbersome, slow, and expensive, and can cause ecological problems, wasting materials on tests that do not produce the desired results. The purpose of this research was to find out if there might be a better way forward to increase efficiency and free up formulators to focus on new products. In this experiment, a new paints and coatings development process was redesigned based on the potential benefits of formulation digitalization. Instead of laboratory testing, a digital platform was used that has been developed and stocked with relevant, up-to-date, and complete, usable data. This study fou... [more]

The structures and electronic properties of monolayer arsenene doped with Al, B, S and Si have been investigated based on first-principles calculation. The dopants have great influences on the properties of the monolayer arsenene. The electronic properties of the substrate are effectively tuned by substitutional doping. After doping, NO adsorbed on four kinds of substrates were investigated. The results demonstrate that NO exhibits a chemisorption character on Al-, B- and Si-doped arsenene while a physisorption character on S-doped arsenene with moderate adsorption energy. Due to the adsorption of NO, the band structures of the four systems have great changes. It reduces the energy gap of Al- and B-doped arsenene and opens the energy gap of S- and Si-doped arsenene. The large charge depletion between the NO molecule and the dopant demonstrates that there is a strong hybridization of orbitals at the surface of the doped substrate because of the formation of a covalent bond, except for S... [more]

Digital twins are rigorous mathematical models that can be used to represent the operation of real systems. This connection allows for deeper understanding of the actual states of the analyzed system through estimation of variables that are difficult to measure otherwise. In this context, the present manuscript describes the successful implementation of a digital twin to represent a four-stage multi-effect evaporation train from an industrial sugar-cane processing unit. Particularly, the complex phenomenological effects, including the coupling between thermodynamic and fluid dynamic effects, and the low level of instrumentation in the plant constitute major challenges for adequate process operation. For this reason, dynamic mass and energy balances were developed, implemented and validated with actual industrial data, in order to provide process information for decision-making in real time. For example, the digital twin was able to indicate failure of process sensors and to provide est... [more]

There is 0.032% cobalt and 0.56% sulfur in the cobalt-bearing V−Ti tailings in the Panxi Region, with the metal sulfide minerals mainly including FeS2, Fe1−xS, Co3S4, and (Fe,Co)S2, and the gangue minerals mainly including aluminosilicate minerals. The flotation process was used to recover cobalt and sulfur in the cobalt-bearing V−Ti tailings. The results showed that an optimized cobalt−sulfur concentrate with a cobalt grade of 2.08%, sulfur content of 36.12%, sulfur recovery of 85.79%, and cobalt recovery and 84.77% were obtained by flotation process of one roughing, three sweeping, and three cleaning under roughing conditions, which employed pulp pH of 8, grinding fineness of <0.074 mm occupying 80%, flotation concentration of 30%, and dosages of butyl xanthate, copper sulfate, and pine oil of 100 g/t, 30 g/t, and 20 g/t, respectively. Optimized one sweeping, two sweeping, and three sweeping conditions used a pulp pH of 9, and dosages of butyl xanthate, copper sulfate, and pine oi... [more]

The development of algorithms and methods for modelling flowsheets in the field of granular materials has a number of challenges. The difficulties are mainly related to the inhomogeneity of solid materials, requiring a description of granular materials using distributed parameters. To overcome some of these problems, an approach with transformation matrices can be used. This allows one to quantitatively describe the material transitions between different classes in a multidimensional distributed set of parameters, making it possible to properly handle dependent distributions. This contribution proposes a new method for formulating transformation matrices using population balance equations (PBE) for agglomeration and milling processes. The finite volume method for spatial discretization and the second-order Runge−Kutta method were used to obtain the complete discretized form of the PBE and to calculate the transformation matrices. The proposed method was implemented in the flowsheet mod... [more]

Butterfly pea (Clitoria ternatea L.) is a traditional medicinal and edible herb, whose health-promoting benefits have been attributed to its phenolic constituents. In this study, the effects of enzymatic hydrolysis on total phenolic content (TPC) and total flavonoid content (TFC), antioxidant (2,2’-azino-bis(3-ethylbenzothiazoline-6-sulphonic acid) diammonium salt (ABTS), 2,2-diphenyl-1-picrylhydrazyl (DPPH), and ferric reducing antioxidant power (FRAP)) and antibacterial activities of raw and roasted (200 °C, 10−20 min) butterfly pea seeds were investigated. Roasting reduced the yield of seed aqueous extracts, but it increased the TPC and FRAP values, hence the reducing ability, of the extracts. Bromelain hydrolysis enhanced the TPC and TFC of the roasted seeds up to 2- and 18-fold higher, respectively. Trypsin hydrolysis drastically increased the TPC, but not TFC, of roasted seeds; trypsin-hydrolyzed, 20 min roasted sample had the highest TPC (54.07 μg gallic acid equivalent (GAE)/mg... [more]

In recent years, thermal processing systems with integrated temperature control have been increasingly needed to achieve high quality and high performance. In this paper, responding to the growing demands for proper transient response and to provide more accurate temperature controls, a novel slow-mode-based control (SMBC) method is proposed for multi-point temperature control systems. In the proposed method, the temperature differences and the transient response of all points can be controlled and improved by making the output of the fast modes follow that of the slow mode. Both simulations and experiments were carried out, and the results were compared to conventional control methods in order to verify the effectiveness of the proposed method.

This paper presents an analysis of the changes in interfacial surface and the size of droplets formed in a spray tower. The interfacial surface and the size of droplets formed are of fundamental importance to the performance of the equipment, both in terms of pressure drop and process efficiency. Liquid film and droplet sizes were measured using a microphotography technique. The confusors studied were classical, with profiled inside surface, and with double profiled inside surface. The liquids studied were water and aqueous solutions of high-molecular polyacrylamide (PAA) of power-law characteristics. The ranges of process Reynolds number studied were as follows: ReG ∈ (42,700; 113,000), ReL ∈ (170; 15,200). A dimensionless correlation for reduced Sauter mean diameter is proposed.

Improving water quality is a relevant environmental aspect, and using constructed wetlands (CWs) is a sustainable option for this; both porous material filled cells and plants that collectively remove contaminants must be readily available and inexpensive. This study evaluated CWs and their functionality by comparing two ornamental plants (Spathiphyllum wallisii and Hedychium coronarium) planted in experimental mesocosm units filled with layers of porous river rock, tepezil, and soil, or in mesocosms with layers of porous river rock, and tepezil, without the presence of soil. The findings during the experiments (180 days), showed that the removal of pollutants (chemical oxygen demand (COD), total solids suspended (TSS), nitrogen as ammonium (N-NH4), as nitrate (N-NO3), and phosphate (P-PO4) was 20−50% higher in mesocosms with vegetation that in the absence of this, and those mesocosms with the soil layer between 33−45% favored removal of P-PO4. Differences regarding of vegetation remov... [more]

In this paper, an industrial application-oriented wind farm automatic generation control strategy is proposed to stabilize the wind farm power output under power limitation conditions. A wind farm with 20 units that are connected beneath four transmission lines is the selected control object. First, the power-tracking dynamic characteristic of wind turbines is modeled as a first-order inertial model. Based on the wind farm topology, the wind turbines are grouped into four clusters to fully use the clusters’ smoothing effect. A method for frequency-domain aggregation and approximation is used to obtain the clusters’ power-tracking equivalent model. From the reported analysis, a model predictive control strategy is proposed in this paper to optimize the rapidity and stability of the power-tracking performance. In this method, the power set-point for the wind farm is dispatched to the clusters. Then, the active power control is distributed from the cluster to the wind turbines using the c... [more]

This research seeks to improve the production process in the Korean furniture industry by reducing the amount of medium-density fibreboard, that is commonly used to produce furniture, in order to reduce production costs and formaldehyde emissions. This research selects a representative company from the Korean furniture industry to examine its optimal amount of medium-density fibreboard used, using the variables of a previous company; the sale levels, the Korea National Productivity Award Index, and technical efficiencies obtained from a previous study. By using its 2016 production level, we compare it with the amount of medium-density fibreboards actually used in 2016, and apply the results to the entire Korean furniture industry. In conclusion, the Korean furniture industry can minimize the amount of medium-density fibreboards used without reducing current production levels, and thereby save production costs, and contribute to substantially reducing formaldehyde emissions.

Recovering nutrients from wastewaters and wastes, such as sewage sludge and food waste, as sustainable bio-based products provides a key solution to major environmental problems. Classical technology development approaches for resource recovery largely ignore the real-world variability in raw waste materials, which currently hinders the successful implementation of recovery strategies. A major challenge is to create a consistent, sustainable and environmentally friendly supply of high-quality end-products that can compete with fossil-derived products currently on the market. There is urgent need for a paradigm shift from classical technology development approaches to sustainable integrated end-user focused strategies, supported by a reliable, competitive and repeatable quality assurance framework. An improved balance between efficiency and cost in bio-based production chains is needed, while continuously assuring product quality and safety. This
presentation suggests the use of a qual... [more]

Carbon solution loss reaction of coke gasification is one of the most important reasons for coke deterioration and degradation in a blast furnace. It also affects the permeability of gas and fluids, as well as stable working conditions. In this paper, a three dimensional model is established based on the operational parameters of blast furnace B in Bayi Steel. The model is then used to calculate the effects of oxygen enrichment, coke oven gas injection, and steel scrap charging on the carbon solution loss ratio of coke in the blast furnace. Results show that the carbon solution loss ratio of coke gasification for blast furnace B is almost 20% since the results of a model are probably only indicative. The oxygen enrichment and the addition of steel scrap can reduce the carbon solution loss ratio with little effect on the working condition. However, coke oven gas injection increases the carbon solution loss ratio. Therefore, coke oven gas should not be injected into the blast furnace unl... [more]

Metal−organic frameworks (MOFs) are the porous, crystalline structures made of metal−ligands and organic linkers that have applications in gas storage, gas separation, and catalysis. Several experimental and computational tools have been developed over the past decade to investigate the performance of MOFs for such applications. However, the experimental synthesis of MOFs is still empirical and requires trial and error to produce desired structures, which is due to a limited understanding of the mechanism and factors affecting the crystallization of MOFs. Here, we show for the first time a comprehensive kinetic model coupled with population balance model to elucidate the mechanism of MOF synthesis and to estimate size distribution of MOFs growing in a solution of metal−ligand and organic linker. The oligomerization reactions involving metal−ligand and organic linker produce secondary building units (SBUs), which then aggregate slowly to yield MOFs. The formation of secondary building u... [more]

Heat stimulation of coalbed methane (CBM) reservoirs has remarkable promotion to gas desorption that enhances gas recovery. However, coalbed deformation, methane delivery and heat transport interplay each other during the stimulation process. This paper experimentally validated the evolutions of gas sorption and coal permeability under variable temperature. Then, a completely coupled heat-gas-coal model was theoretically developed and applied to a computational simulation of CBM thermal recovery based on a finite element approach of COMSOL with MATLAB. Modeling and simulation results show that: Although different heat-gas-coal interactions have different effects on CBM recovery, thermal stimulation of coalbed can promote methane production effectively. However, CBM thermal recovery needs a forerunner heating time before the apparent enhancement of production. The modeling and simulation results may improve the current cognitions of CBM thermal recovery.

The remediation of beaches contaminated with oil includes the application of surfactants and/or the application of amendments to enhance oil biodegradation (i.e., bioremediation). This study focused on evaluating the practicability of the high pressure injection (HPI) of dissolved chemicals into the subsurface of a lentic Alaskan beach subjected to a 5 m tidal range. A conservative tracer, lithium, in a lithium bromide (LiBr) solution, was injected into the beach at 1.0 m depth near the mid-tide line. The flow rate was varied between 1.0 and 1.5 L/min, and the resulting injection pressure varied between 3 m and 6 m of water. The concentration of the injected tracer was measured from four surrounding monitoring wells at multiple depths. The HPI associated with a flow rate of 1.5 L/min resulted in a Darcy flux in the cross-shore direction at 1.15 × 10−5 m/s compared to that of 7.5 × 10−6 m/s under normal conditions. The HPI, thus, enhanced the hydraulic conveyance of the beach. The resul... [more]

In this work, we employed a computational fluid dynamics (CFD)-based model with a Eulerian multiphase approach to simulate the fluidization hydrodynamics in biomass gasification processes. Air was used as the gasifying/fluidizing agent and entered the gasifier at the bottom which subsequently fluidized the solid particles inside the reactor column. The momentum exchange related to the gas-phase was simulated by considering various viscous models (i.e., laminar and turbulence models of the re-normalisation group (RNG), k-ε and k-ω). The pressure drop gradient obtained by employing each viscous model was plotted for different superficial velocities and compared with the experimental data for validation. The turbulent model of RNG k-Ɛ was found to best represent the actual process. We also studied the effect of air distributor plates with different pore diameters (2, 3 and 5 mm) on the momentum of the fluidizing fluid. The plate with 3-mm pores showed larger turbulent viscosities above th... [more]

This editorial provides a brief overview of the Special Issue “Modeling and Simulation of Energy Systems.” This Special Issue contains 21 research articles describing some of the latest advances in energy systems engineering that use modeling and simulation as a key part of the problem-solving methodology. Although the specific computer tools and software chosen for the job are quite variable, the overall objectives are the same—mathematical models of energy systems are used to describe real phenomena and answer important questions that, due to the hugeness or complexity of the systems of interest, cannot be answered experimentally on the lab bench. The topics explored relate to the conceptual process design of new energy systems and energy networks, the design and operation of controllers for improved energy systems performance or safety, and finding optimal operating strategies for complex systems given highly variable and dynamic environments. Application areas include electric powe... [more]

Artemisia species are used as folk medicines in several countries. This work was aimed to shed more light on the effect of methanol, water, ethyl acetate extracts, and essential oil (EO) of A. santonicum on selected enzymes (cholinesterase, tyrosinase α-amylase, and α-glucosidase) as well of their antioxidant and pharmacological effects. The chemical profile of the essential oil was determined using gas chromatography coupled to mass spectrometry (GC-MS) analysis, while the extracts were chemically characterized by high performance liquid chromatography coupled to mass spectrometry (HPLC-MS). Forty-nine constituents were identified and camphor (36.6%), 1,8-cineole (10.2%), α-thujone (10.1%), borneol (4.5%), and β-thujone (3.6%) were the major components. Overall, 45, 74, and 67 components were identified from the ethyl acetate, methanol, and water extracts, respectively. The EO and extracts showed significant antioxidant properties, in a cell-free model; particularly, methanol and wate... [more]

The Biginelli reaction is a multicomponent reaction for obtaining dihydropyrimidinthiones quickly, with multiple substitution patterns. The reaction mechanism remains unclear. Three possible pathways proposed for the reaction are the iminium route, an enamine intermediate, and the Knoevenagel pathway. However, when thiourea was used, no theoretical calculations were reported. Thus, based on the literature, the iminium pathway was used to obtain evidence explaining the lack of reactivity of 2,4-dihydroxybenzaldehyde towards the Biginelli adduct, compared with 4-hydroxybenzaldehyde. This computational study, carried out using the B3LYP/6-31++G(d,p) level of theory, showed an increment of 150 kJ/mol in the activation energy of the slowest pathway, due to the presence of a hydroxyl group in position 2 (ortho) of the aromatic aldehyde, decreasing its reactivity. Natural bond orbital (NBO) calculations suggest that the determinant steps are simultaneous, i.e., the polarization of the carbony... [more]

Poor aqueous solubility limits the therapeutic efficacy of many marketed and investigational drugs. Synthesis of new drugs with improved solubility is challenging due to time constraint and expenses involved. Therefore, finding the solubility enhancers for existing drugs is an attractive and profitable strategy. In this study, PEGylated oleic acid (OA-mPEG5000), a conjugate of oleic acid and mPEG5000 was synthesized and evaluated as a solubilizer for furosemide. OA-mPEG5000 was evaluated as a nanocarrier for furosemide by formulating polymersomes. Solubility of furosemide in milli-Q water and aqueous OA-mPEG5000 solution was determined using shake flask method. At 37 °C, the solubility of furosemide in OA-mPEG5000 (1% w/w) and milli-Q water was 3404.7 ± 254.6 µg/mL and 1020.2 ± 40.9 µg/mL, respectively. Results showed there was a 3.34-fold increase in solubility of furosemide in OA-mPEG5000 compared to water at 37 °C. At 25 °C, there was a 3.31-fold increase in solubilization of furose... [more]

Monitoring and control of the blast furnace hearth is critical to achieve the required production levels and adequate process operation, as well as to extend the campaign length. Because of the complexity of the draining, the outflows of iron and slag may progress in different ways during tapping in large blast furnaces. To categorize the hearth draining behavior, principal component analysis (PCA) was applied to two extensive sets of process data from an operating blast furnace with three tapholes in order to develop an interpretation of the outflow patterns. Representing the complex outflow patterns in low dimensions made it possible to study and illustrate the time evolution of the drainage, as well as to detect similarities and differences in the performance of the tapholes. The model was used to explain the observations of other variables and factors that are known to be affected by, or affect, the state of the hearth, such as stoppages, liquid levels, and tap duration.

The impact of thermo−ultrasound (TU) on the quality of fresh wheat plantlets juice is described in this study. Fresh wheat plantlets juice was treated with TU using ultrasound (US) bath cleaner with different treatment variables, including power (70%, 420 W), frequency (40 kHz), processing time (20 and 40 min) and temperature (30, 45 and 60 °C) for the determination of free amino acids, minerals, microbial loads and bioactive compounds. The treatments have non-significant effects in ºBrix, pH, and titratable acidity while a significant increase in non-enzymatic browning, viscosity, and cloud value. The TU treatment at 30 °C for 20 and 40 min has achieved the highest value of total phenolics, flavonoids, total antioxidant capacity, 2, 2-diphenyl-1-picrylhydrazyl (DPPH), carotenoids, anthocyanin contents, chlorophyll (a + b), minerals and free amino acids than other treatments as well as untreated sample. A lightly visible variation in the color was observed among all treatments. TU trea... [more]

Dendrimers are branched organic macromolecules with successive layers of branch units surrounding a central core. The molecular topology and the irregularity of their structure plays a central role in determining structural properties like enthalpy and entropy. Irregularity indices which are based on the imbalance of edges are determined for the molecular graphs associated with some general classes of dendrimers. We also provide graphical analysis of these indices for the above said classes of dendrimers.