Development of high pressure membraneless alkaline electrolyzer

A technology for cyclic generation of hydrogen and oxygen using electrodes made of variable valency material that does not need the use of separating ion-exchange membranes is presented. The technological solution enables to fabricate electrolyzers for uninterrupted producing high-pressure hydrogen with reduced energy intensity of the production. The total work for compressing 1 m³ of hydrogen and 0.5 m³ of oxygen has been estimated. Results of investigation of influence of discrete supply of DC current to the electrolysis cell, in order to improve the processes of gas evolution and to simplify the power systems of the electrolysis plant, have been considered. There is also considered an electrolysis installation equipped with a thermosorption compressor in which LaNi₅ is used as a hydride-forming compound. The comparative characteristics of the developed electrolyzer and the currently used hydrogen generators are given.     

Analysis of operating limits and combustion state regulation for low-calorific value gases in industrial burners

The effective and efficient utilization of low-calorific value (LCV) gases has gained increasing attention in scientific research and industrial fields. In this study, the combustion characteristics of three LCV gases in practical devices are analyzed by using a nonadiabatic perfectly stirred reactor model. The complete steady-state solution in the temperature-residence time parameter space is obtained with arc-length continuation. The stable operation region is quantified by the eigenvalue analysis. The transition of solution curves is quantified with heat loss coefficient. Five key system parameters are systematically investigated on their effects on stability limits. With the combustion performance being quantified by a combustion state index, a combustion state regulation method is proposed to find the optimal regulation path of system parameters. Active subspace method is further applied to shorten the regulation step by identifying the active direction. The proposed method and findings are useful for optimal regulation of burning LCV gases in industrial burners.     

Prediction of Chameleonic Efficiency

Chameleonic properties, i. e., the capacity of a molecule to hide polarity in non-polar environments and expose it in water, help achieving sufficient permeability and solubility for drug molecules with high MW. We present models of experimental measures of polarity for a set of 24 FDA approved drugs (MW 405-1113) and one PROTAC (MW 1034). Conformational ensembles in aqueous and non-polar environments were generated using molecular dynamics. A linear regression model that predicts chromatographic apparent polarity (EPSA) with a mean unsigned error of 10 Ų was derived based on separate terms for donor, acceptor, and total molecular SASA. A good correlation (R²=0.92) with an experimental measure of hydrogen bond donor potential, Δlog P_oct-tol, was found for the mean hydrogen bond donor SASA of the conformational ensemble scaled with Abraham's A hydrogen bond acidity. Two quantitative measures of chameleonic behaviour, the chameleonic efficiency indices, are introduced. We envision that the methods presented herein will be useful to triage designed molecules and prioritize those with the best chance of achieving acceptable permeability and solubility.     

A practical development of engineering simulation-assisted educational AR environments

Engineering simulations have opened several gates for today’s chemical engineers. They are powerful tools to provide technical content as physics-based numerical solvers. Augmented reality (AR) and virtual reality (VR), on the other hand, are already underway to digitize environments in many fields. The combination of AR/VR environments and simulations in engineering education has been attracting widespread interest. Literature has demonstrated a massive amount of digital educational environments in several contexts as being complementary to conventional educational methods. Nevertheless, hosting technical content produced by engineering simulations with educational AR/VR is still challenging and requires expertise from multiple disciplines throughout the technical development. Present work provides a facile and agile methodology for low-cost hardware but content-wise rich AR software development. Inspired by the Covid-19 pandemic, a case study is developed to teach chemical-engineering concepts using a liquid-soap synthesis process. Accordingly, we assess and conclude the digital development process to guide inexperienced developers for the digitalization of teaching content. The present contribution serves as an example of the power of integrating AR/VR with traditional engineering simulations for educational purposes. The digital tool developed in this work is shared in the online version.     

Use of a smartphone-based Student Response System in large active-learning Chemical Engineering Thermodynamics classrooms

Smartphones are a promising tool as student response systems (SRS) for interactive teaching due to their widespread diffusion. Here, the main purpose is to assess the efficacy of smartphone-based SRS in large classroom settings of undergraduate Thermodynamics, as representative of engineering courses requiring high-level cognitive skills for problem solving. Four sets of multiple-choice questions were presented during the course. Overall, the results refer to 1055 students between control and SRS classes, each corresponding to a3 years period.One of the main results of this work is the strong linear correlation between the average questionnaire score and the final exam grade (R² = 0.91). A similar correlation, although with a lower value of R², is already found in the first questionnaire, thus showing the SRS high predictive power of class performance. The results of this study provide guidance for a quantitative use of smartphone-based SRS in teaching basic disciplines. The SRS monitoring capability allows early detection of struggling students, thus paving the way to personalized tutoring and improved student engagement in active learning practices. This approach is especially important in emergency situations, such as the SARS-Cov-2 pandemic, when distance learning is widely adopted, and remote interactive tools are highly needed.     

Influence of pulse-jet cleaning pressure on performance of compact dust collector with pleated filter operated in clean-on-time mode

To operate a bag filter continuously, pulse-jet cleaning of dust particles from the filter medium is commonly required, and the pulse-jet pressure significantly affects the filter performance. In this study, the accumulation structure of residual dust particles inside and on the surface of a filter medium at different pulse-jet pressures was investigated by constructing a simple model, and the influence of the dust structure on the filter performance was clarified. Using a simple model, we determined the effective ratio of filtration area β, which represents the ratio of the filterable area to the total filtration area, the true resistance coefficient due to the primary dust layer ζ_p’ thinly deposited on the filter surface, and the true resistance coefficient inside the filter media itself ζ_f’_. The effective ratio of filtration area β decreased with operation time for all pulse-jet pressures; however, it maintained a high value when the pulse-jet pressure was high. The validity of β analyzed by the model was verified using two different methods, and the results showed good agreement, indicating that the model is effective in identifying real conditions. The true resistance coefficient due to the primary dust layer ζ_p’ decreased as the pulse-jet pressure increased; however, the true resistance coefficient inside the filter media itself ζ_f’ was the highest at 0.5 MPa. In addition, the dust collection efficiency was different at each pulse-jet pressure, which was considered to be caused by the difference in the dust particle accumulation structure.     

Salt-assisted solution combustion synthesis of NiFe2O4: Effect of salt type

The effects of three types of salt including NaF, KCl, and NaCl on the properties of NiFe₂O₄ nanoparticles using salt-assisted solution combustion synthesis (SSCS) have been investigated. The synthesized powders were evaluated by SEM, TEM, FTIR, XRD, and VSM analysis. Also, the specific surface area (SSA), as well as size distribution and volume of the porosities of NiFe₂O₄ powders were determined by the BET apparatus. The visual observations showed that the intensity and time of combustion synthesis of nanoparticles have been severely influenced by the type of salt. The highest crystallinity was observed in the synthesized powder using NaCl. The SSA has also been correlated completely to the type of salt. The quantities of SSA was achieved about 91.62, 64.88, and 47.22 m²g^-1 for the powders synthesized by KCl, NaCl, and NaF respectively. Although the magnetic hysteresis loops showed the soft ferromagnetic behavior of the NiFe₂O₄ nanoparticles in all conditions, KCl salt could produce the particles with the least coercivity and remanent magnetization. Based on the present study, the salt type is a key parameter in the SSCS process for the preparation of spinel ferrites. Thermodynamic evaluation also showed that the melting point and heat capacity are important parameters for the proper selection of the salt.     

Influence of SiC microstructure on its corrosion behavior in molten FLiNaK salt

The influence of the microstructure on the corrosion rate of three monolithic SiC samples in FLiNaK salt at 900 °C for 250 h was studied. The SiC samples, labeled as SiC-1, SiC-2, and SiC-3, had corrosion rates of 0.137, 0.020, and 0.043 mg/cm²h, respectively. Compared with grain size and the presence of special grain boundaries (i.e., Σ3), the content of high-angle grain boundaries (HAGBs) appeared to have the strongest influence on the corrosion rate of SiC in FLiNaK salt, since the corrosion rate increased six times as the concentration of high-angle grain boundaries increased from 19 to 32% for SiC-2 and SiC-1, respectively. These results stress the importance of controlling the content of HAGBs during the production process of SiC.