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Records Added in May 2021
Records added in May 2021
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126. LAPSE:2021.0363
Thermo-Acoustic Catalytic Effect on Oxidizing Woody Torrefaction
May 17, 2021 (v1)
Subject: Reaction Engineering
Keywords: catalytic effect, numerical modeling, severity factors, thermoacoustic, woody biomass torrefaction
The torrefaction (mild pyrolysis) process modifies biomass chemical and physical properties and is applied as a thermochemical route to upgrade solid fuel. In this work, the catalytic effect of thermo-acoustic on oxidizing woody torrefaction is assessed. The combined effect of two acoustic frequencies (1411, 2696 Hz) and three temperatures (230, 250, and 290 °C) was evaluated through weight loss and its deviation curves, calculated torrefaction severity index (TSI), as well as proximate, calorific, and compression strength analysis of Eucalyptus grandis. A new index to account for the catalytic effects on torrefaction (TCEI) was introduced, providing the quantitative analysis of acoustic frequencies influence. A two-step consecutive reaction numerical model allowed the thermo-acoustic experiment evaluation. For instance, the thermogravimetric profiles revealed that the acoustic field has a catalytic effect on wood torrefaction and enhances the biomass oxidation process for severe treat... [more]
127. LAPSE:2021.0362
High-Performance Mg−Al−Bi Alloy Anode for Seawater Batteries and Related Mechanisms
May 17, 2021 (v1)
Subject: Materials
Keywords: discharge, electrochemical performance, Mg–8Al–xBi alloy, utilization efficiency
Bi, a group 15 element, was added to magnesium alloys and applied to seawater batteries in marine operating machinery to improve the electrochemical performance and corrosion resistance of the battery. The electrochemical properties of as-cast pure Mg, Mg−8Al, and Mg−8Al−xBi alloy anodes in 3.5% NaCl solution were researched. Electrochemical impedance spectroscopy and an immersion test in 3.5% NaCl solution show that the Mg−8%Al−0.4%Bi alloy provides better corrosion resistance than Mg and the Mg−8Al alloy. The galvanostatic discharge results show that the Mg−8%Al−0.4%Bi alloy revealed better electrochemical properties and utilization efficiency in 3.5% NaCl solution. The Mg17Al12 and BiOCl phases formed during the discharge process of the Mg−8%Al−0.4%Bi alloy play an important role in improving the electrochemical performance and utilization efficiency of the alloy.
128. LAPSE:2021.0361
Biosensing on the Centrifugal Microfluidic Lab-on-a-Disc Platform
May 17, 2021 (v1)
Subject: Biosystems
Keywords: biosensors, centrifugal microfluidics, LoaD platforms, microfluidics, PoC devices
Lab-on-a-Disc (LoaD) biosensors are increasingly a promising solution for many biosensing applications. In the search for a perfect match between point-of-care (PoC) microfluidic devices and biosensors, the LoaD platform has the potential to be reliable, sensitive, low-cost, and easy-to-use. The present global pandemic draws attention to the importance of rapid sample-to-answer PoC devices for minimising manual intervention and sample manipulation, thus increasing the safety of the health professional while minimising the chances of sample contamination. A biosensor is defined by its ability to measure an analyte by converting a biological binding event to tangible analytical data. With evolving manufacturing processes for both LoaDs and biosensors, it is becoming more feasible to embed biosensors within the platform and/or to pair the microfluidic cartridges with low-cost detection systems. This review considers the basics of the centrifugal microfluidics and describes recent developm... [more]
129. LAPSE:2021.0360
Thermal Decontamination of Spent Activated Carbon Contaminated with Radiocarbon and Tritium
May 17, 2021 (v1)
Subject: Reaction Engineering
Keywords: radiocarbon, reactivation, spent activated carbon, thermal desorption, tritium
The thermal desorption of tritium (3H, T) and radiocarbon (14C) from spent activated carbon was investigated and three thermal desorption steps were established: the vaporization of homogeneously condensed molecules, the desorption of molecules physically binding with the carbon surface, and the decomposition of chemisorbed molecules. A model-free kinetic analysis was conducted to establish the optimum condition of vacuum thermal desorption. Physisorbed species, including tritiated water (HTO) and 14CO2, were effectively removed by vacuum thermal desorption. However, a fraction of 14C, which may take the form of carbon molecules in pyrocarbon form during the heating process, was not removed, even at a high temperature of 1000 °C under a vacuum of 0.3−0.5 Pa. Oxidative peeling of the pore surfaces by filling the evacuated pores with pure oxygen via vacuum thermal desorption and heating to 700 °C was found to be effective for reducing the level of 14C to a level below the established fre... [more]
130. LAPSE:2021.0359
Rapid Multi-Objective Optimization of Periodically Operated Processes Based on the Computer-Aided Nonlinear Frequency Response Method
May 17, 2021 (v1)
Subject: Process Operations
Keywords: computer-aided nonlinear frequency response, cost–benefit indicator analysis, dynamic multi-objective optimization, forced periodic regime, Process Intensification
The dynamic optimization of promising forced periodic processes has always been limited by time-consuming and expensive numerical calculations. The Nonlinear Frequency Response (NFR) method removes these limitations by providing excellent estimates of any process performance criteria of interest. Recently, the NFR method evolved to the computer-aided NFR method (cNFR) through a user-friendly software application for the automatic derivation of the functions necessary to estimate process improvement. By combining the cNFR method with standard multi-objective optimization (MOO) techniques, we developed a unique cNFR−MOO methodology for the optimization of periodic operations in the frequency domain. Since the objective functions are defined with entirely algebraic expressions, the dynamic optimization of forced periodic operations is extraordinarily fast. All optimization parameters, i.e., the steady-state point and the forcing parameters (frequency, amplitudes, and phase difference), ar... [more]
131. LAPSE:2021.0358
Preliminary Computational Analysis of Three Configurations for an Innovative Ventricular Chamber
May 17, 2021 (v1)
Subject: Biosystems
Keywords: finite element analysis, LS DYNA, TAH, ventricular chamber
(1) Background: shape, dimension, hemodynamics, and hemocompatibility are just a few of the several challenging key points that must be addressed in designing any suitable solution for the ventricular chamber of mechanical circulatory support devices. A preliminary evaluation of different geometries of bellow-like ventricular chambers is herein proposed. The chambers were made with a polycarbonate urethane that is acknowledged to be a hemocompatible polymer. (2) Methods: an explicit dynamic computational analysis was performed. The actuation of the three chambers was simulated without the presence of an internal fluid. Maximum stress and strain values were identified, as well as the most critical regions. Geometric changes were checked during simulated motion to verify that the dimensional constraints were satisfied. (3) Results: one chamber appeared to be the best solution compared to the others, since its dimensional variations were negligible, and effective stresses and strains did... [more]
132. LAPSE:2021.0357
CFD Modeling of Spatial Inhomogeneities in a Vegetable Oil Carbonation Reactor
May 17, 2021 (v1)
Subject: Food & Agricultural Processes
Keywords: biomass valorization, carbonation modeling, Computational Fluid Dynamics, spatial coordinate-based material properties
Fossil materials are widely used raw materials in polymerization processes; hence, in many cases, the primary goal of green and sustainable technologies is to replace them with renewables. An exciting and promising technology from this aspect is the isocyanate-free polyurethane production using vegetable oil as a raw material. Functional compounds can be formed by the epoxidation of vegetable oils in three reaction steps: epoxidation, carbonation, and aminolysis. In the case of vegetable oil carbonation, the material properties vary strongly, with the composition affecting the solubility of CO2 in the reaction mixture. Many attempts have been made to model these interactions, but they generally do not account for the changes in the material properties in terms of spatial coordinates. A 2D CFD model based on the combination of the k-ε turbulence model and component mass balances considering the spatial inhomogeneities on the performance of the reactor was created. After the evaluation o... [more]
133. LAPSE:2021.0356
An Experimental Study of Turbulent Mixing in Channel Flow Past a Grid
May 11, 2021 (v1)
Subject: Other
Keywords: 3D scanning, Agrawal decomposition, grid turbulence, Mixing, particle image velocimetry, turbulent kinetic energy
Grid turbulence is considered to be a canonical case of turbulent flow. In the presented paper, the flow structure is analyzed from the point of view of mixing properties, where vortical structures and their properties play a significant role. That is why the effect of various length-scales in turbulence is studied separately. The experimental study uses the Particle Image Velocimetry (PIV) method. The original method for spatial spectrum evaluation is applied. Results on vortex spatial spectrum and isotropy are presented. The scaling of turbulent kinetic energy (TKE) is measured; furthermore, the TKE is decomposed according to the length-scales of the fluctuations. By this method, we found that the decay of TKE associated with the smallest length-scales is more sensitive to the Reynolds number than that at larger length-scales. The TKE at the largest investigated length-scales decays more slowly. The turbulence decay-law is studied for various Reynolds numbers. The second and fourth s... [more]
134. LAPSE:2021.0355
Kinetics and Modeling of Aqueous Phase Radical Homopolymerization of 3-(Methacryloylaminopropyl)trimethylammonium Chloride and its Copolymerization with Acrylic Acid
May 11, 2021 (v1)
Subject: Reaction Engineering
Keywords: aqueous phase polymerization, modeling and simulation, polyelectrolytes, radical polymerization
The radical homopolymerization kinetics of 3-(methacryloylaminopropyl) trimethylammonium chloride (MAPTAC) and its batch copolymerization with nonionized acrylic acid (AA) in aqueous solution are investigated and modeled. The drift in monomer composition is measured during copolymerization by in situ NMR over a range of initial AA molar fractions and monomer weight fractions up to 0.35 at 50 °C. The copolymer becomes enriched in MAPTAC for monomer mixtures containing up to 60 mol% MAPTAC, but is enriched in AA for MAPTAC-rich mixtures; this azeotropic behavior is dependent on initial monomer content, as electrostatic interactions from the cationic charges influence the system reactivity ratios. Models for MAPTAC homopolymerization and AA-MAPTAC copolymerization are developed to represent the rates of monomer conversion and comonomer composition drifts over the complete range of experimental conditions.
135. LAPSE:2021.0354
PEMFC Transient Response Characteristics Analysis in Case of Temperature Sensor Failure
May 11, 2021 (v1)
Subject: Process Monitoring
Keywords: controller, dynamic system model, fault scenario, fault tolerance control, fuel cell vehicle, thermal management system
In this study, transient responses of a polymer electrolyte fuel cell system were performed to understand the effect of sensor fault signal on the temperature sensor of the stack and the coolant inlet. We designed a system-level fuel cell model including a thermal management system, and a controller to analyze the dynamic behavior of fuel cell system applied with variable sensor fault scenarios such as stuck, offset, and scaling. Under drastic load variations, transient behavior is affected by fault signals of the sensor. Especially, the net power of the faulty system is 45.9 kW. On the other hand, the net power of the fault free system is 46.1 kW. Therefore, the net power of a faulty system is about 0.2 kW lower than that of a fault-free system. This analysis can help in understanding the transient behavior of fuel cell systems at the system level under fault situations and provide a proper failure avoidance control strategy for the fuel cell system.
136. LAPSE:2021.0353
Computer-Aided Nonlinear Frequency Response Method for Investigating the Dynamics of Chemical Engineering Systems
May 11, 2021 (v1)
Subject: System Identification
Keywords: experimental identification, frequency response functions, nonlinear process dynamics, periodic processes, Process Intensification, process systems engineering
The Nonlinear Frequency Response (NFR) method is a useful Process Systems Engineering tool for developing experimental techniques and periodic processes that exploit the system nonlinearity. The basic and most time-consuming step of the NFR method is the derivation of frequency response functions (FRFs). The computer-aided Nonlinear Frequency Response (cNFR) method, presented in this work, uses a software application for automatic derivation of the FRFs, thus making the NFR analysis much simpler, even for systems with complex dynamics. The cNFR application uses an Excel user-friendly interface for defining the model equations and variables, and MATLAB code which performs analytical derivations. As a result, the cNFR application generates MATLAB files containing the derived FRFs in a symbolic and algebraic vector form. In this paper, the software is explained in detail and illustrated through: (1) analysis of periodic operation of an isothermal continuous stirred-tank reactor with a sim... [more]
137. LAPSE:2021.0352
Effect of Pasteurisation on Methane Yield from Food Waste and Other Substrates in Anaerobic Digestion
May 11, 2021 (v1)
Subject: Food & Agricultural Processes
Keywords: anaerobic digestion, animal by-products regulation, food waste, methane yield, pasteurisation
The effect of pasteurisation and co-pasteurisation on biochemical methane potential values in anaerobic digestion (AD) was studied. Pasteurisation prior to digestion in a biogas plant is a common hygienisation method for organic materials which contain or have been in contact with animal by-products. Tests were carried out on food waste, slaughterhouse waste, animal blood, cattle slurry, potato waste, card packaging and the organic fraction of municipal solid waste (OFMSW); pasteurisation at 70 °C for 1 h was applied. Pasteurisation had increased the methane yields of blood (+15%) and potato waste (+12%) only, which both had a low content of structural carbohydrates (hemi-cellulose and cellulose) but a particularly high content of either non-structural carbohydrates such as starch (potato waste) or proteins (blood). With food waste, card packaging and cattle slurry, pasteurisation had no observable impact on the methane yield. Slaughterhouse waste and OFMSW yielded less methane after p... [more]
138. LAPSE:2021.0351
Hydroxypropyl Methylcellulose-Based Hydrogel Copolymeric for Controlled Delivery of Galantamine Hydrobromide in Dementia
May 11, 2021 (v1)
Subject: Biosystems
Keywords: dementia, galantamine hydrobromide (GH), HPMC, hydrogel, methylene bisacrylamide, pectin
The study aims to prepare a smart copolymeric for controlled delivery of Galantamine hydrobromide. The synthesis of the hydrogel was executed through free radical polymerization using HPMC (Hydroxypropyl methylcellulose) and pectin as polymers and acrylic acid as monomer. Cross-linking was performed by methylene bisacrylamide (MBA). HPMC-pectin-co-acrylic acid hydrogel was loaded with Galantamine hydrobromide (antidementia drug) as a model drug for treatment of Alzheimer based dementia. Formulated hydrogels (SN1−SN9) were characterized for Fourier transform-infrared spectroscopy, differential scanning calorimetry, thermogravimetric analysis, X-ray diffraction, and energy dispersive X-ray. Drug loading efficiency, gel fraction, measurements of porosity, and tensile strength were reported. Swelling and release studies were performed at pH 1.2 and 7.4. Drug liberation mechanism was evaluated by applying different release kinetic models. Galantamine hydrobromide was released from prepared... [more]
139. LAPSE:2021.0350
Bacterial Toxicity Testing: Modification and Evaluation of the Luminescent Bacteria Test and the Respiration Inhibition Test
May 11, 2021 (v1)
Subject: Biosystems
Keywords: activated sludge, bacterial toxicity, chlorinated phenols, Cr(VI) and Zn(II) cations, long-term toxicity, luminescent bacteria, respiration inhibition
The activated sludge respiration inhibition test and the luminescent bacteria test with Vibrio fischeri are important bacterial test systems for evaluation of the toxicity of chemical compounds. These test systems were further optimized to result in better handling, reliability and sensitivity. Concerning the Vibrio fischeri test, media components such as yeast extract and bivalent cation concentrations like Ca2+ and Mg2+ were optimized. The cultivation, storage conditions and reactivation process of the stored bacteria were also improved, which enabled simpler handling and led to good reproducibility. Additionally, the respiration inhibition test with a prolonged incubation time was further analyzed using different chlorinated phenols as reference compounds. It could be stated that a longer incubation period significantly improved the sensitivity of the test system.
140. LAPSE:2021.0349
The Influence of Particle Size and Crystallinity of Plant Materials on the Diffusion Constant for Model Extraction
May 11, 2021 (v1)
Subject: Food & Agricultural Processes
Keywords: cellulose crystallinity, diffusion constant, diffusion fluxes, kinetic of extraction, mechanical treatment, resveratrol
Adsorbed polyphenolic compound (resveratrol) to a wheat straw matrix was considered as a model system for studying the influence of particle sizes and crystallinity of cell wall cellulose on the extraction process from the matrix of plant material. The morphology of wheat straw particles was studied by scanning electron microscopy and changes in the crystal structure of cellulose were determined using X-ray diffraction. The kinetics of resveratrol extraction were studied using high-performance liquid chromatography (HPLC). The diffusion constants were determined for particles of different sizes and particles having the same size but varying in the degree of disordering of cellulose, the main component of cell walls. The applicability of the Axelrud equation for calculating the mass transfer constants for plant objects with a complex internal structure was shown. Comparison of the particle sizes, the degree of crystallinity, and the calculated mass transfer constant makes it possible to... [more]
141. LAPSE:2021.0348
Separation of Gallium(III) and Indium(III) by Solvent Extraction with Ionic Liquids from Hydrochloric Acid Solution
May 11, 2021 (v1)
Subject: Materials
Keywords: gallium, hydrochloric acid, indium, ionic liquids, solvent extraction
The manufacture of semiconductor materials containing gallium and indium requires the separation of these metals owing to their coexistence in the resources of these materials. In this work, solvent extraction of In(III) and Ga(III) from a hydrochloric acid solution by ionic liquids (ILs) was investigated to separate them. The ILs were synthesized by reacting organophosphorus acids (Cyanex 272, PC88A and D2EHPA) and Aliquat 336 (ALi-CY, ALi-PC, and ALi-D2). In(III) was selectively extracted over Ga(III) by the ILs in the range of initial pH from 0.1 to 2.0. The equilibrium pH was always higher than the initial pH because of the coextraction of hydrogen ions. The highest separation factor between In(III) and Ga(III) was 87, which was obtained by ALi-PC at an initial pH of 1.0. Stripping of the loaded ALi-PC with hydrochloric and sulfuric acid led to selective stripping of In(III) over Ga(III). Scrubbing of the loaded ALi-PC with pure In(III) solution was not effective in removing the sm... [more]
142. LAPSE:2021.0347
Room Temperature Ferroelastic Creep Behavior of Porous (La0.6Sr0.4)0.95Co0.2Fe0.8O3-δ
May 4, 2021 (v1)
Subject: Materials
Keywords: creep, ferroelasticity, LSCF, porosity
The time-dependent deformation of porous (La0.6Sr0.4)0.95Co0.2Fe0.8O3-δ (LSCF) under constant uniaxial compressive stress at room temperature has been studied. Both axial and lateral stress−strain deformation curves clearly show the non-linear ferroelastic behavior of LSCF perovskite during compression. The ferroelastic characteristics of deformation curves such as coercive stress and apparent loading moduli decrease when the porosity of the samples increases. Ferroelastic creep deformations at applied stresses of 25 and 50 MPa demonstrate that stress and porosity are influencing factors on creep deformation, which increases with increasing stress and porosity. A negative creep or axial expansion and lateral contraction were observed in the sample with 35% porosity under 50-MPa constant compression stress.
143. LAPSE:2021.0346
Influence of Fermented Diets on In Vitro Survival Rate of Some Artificially Inoculated Pathogens—A Preliminary Study
May 4, 2021 (v1)
Subject: Biosystems
Keywords: in vitro fermentation, liquid feed, pathogens
Improving the hygienic status of feed ingredients by biotechnological processes as fermentation is of the greatest concern. This preliminary study aimed to investigate whether there are relevant effects of fermented liquid feed (FLF) on the survival of potential pathogens in vitro. The feed (fresh basis) consisted of 50% rye, 30% rapeseed extracted meal, 10% barley and 10% wheat. Glass bottles were filled about 14.1 g water (38 °C) containing the diluted starter culture and feed (8.81 g). Fermentation led to high levels of lactate (5−7% of dry matter), low pH values (<4.0) and low levels of acetic acid (<1% of dry matter) in the FLF. The survival rate of pathogens added, such as Salmonella enterica serovar Typhimurium, Escherichia coli and Clostridium perfringens after 6 h of controlled fermentation, was significantly reduced (<2 log10 CFU/g). The counts of Candida krusei in FLF at 3 h and 6 h post inoculation remained almost unchanged regardless of the incubation time. Even a... [more]
144. LAPSE:2021.0345
Tributary Channel Width Effect on the Flow Behavior in Trapezoidal and Rectangular Channel Confluences
May 4, 2021 (v1)
Subject: Modelling and Simulations
Keywords: channel confluence, flow structure, the separation zone
Channel confluences happen commonly in water transport networks and natural rivers. Utilizing a 3D CFD code, a series of numerical simulations were performed using a large eddy simulation turbulence model to investigate the effect of the variations in tributary channel width and the transverse geometrical shape of the main channel on the flow parameters and vertical structure in a T-shape confluence. The code was calibrated using the experimental data from the literature. Flow parameters were considered in ratios of tributary width to the main channel width in trapezoidal and rectangular channels. Results indicate that decreasing the width ratio of the tributary channel to the main channel significantly affects the flow structure in the confluence. Generally, it increases the width and length of the main recirculation zone. It also increases the maximum velocity near the bed, especially in cases with a trapezoidal shape. Besides, it highly affects the structure and formation of the rec... [more]
145. LAPSE:2021.0344
Magnetite and Hematite in Advanced Oxidation Processes Application for Cosmetic Wastewater Treatment
May 4, 2021 (v1)
Subject: Materials
Keywords: advanced oxidation processes, hematite, industrial wastewater, magnetite, zero valent iron
Wastewater from a cosmetic factory, with an initial total organic carbon (TOC) of 146.4 mg/L, was treated with Fe2O3/Fe0/H2O2, Fe3O4/Fe0/H2O2, light/Fe2O3/Fe0/H2O2, and light/Fe3O4/Fe0/H2O2 processes. The light-supported processes were more effective than the lightless processes. The fastest TOC removal was observed during the first 15 min of the process. Out of the four tested kinetic models, the best fit was obtained for the modified second-order reaction with respect to the TOC value. The best treatment efficiency was obtained for the light/Fe3O4/Fe0/H2O2 process with 250/750 mg/L Fe3O4/Fe0 reagent doses, a 1:1 hydrogen peroxide to Chemical Oxygen Demand (H2O2/COD) mass ratio, and a 120 min process time. These conditions allowed 75.7% TOC removal to a final TOC of 35.52 mg/L and 90.5% total nitrogen removal to a final content of 4.9 mg/L. The five-day Biochemical Oxygen Demand to Chemical Oxygen Demand (BOD5/COD) ratio was increased slightly from 0.124 to 0.161. Application of Head... [more]
146. LAPSE:2021.0343
Comparison of Solar Collector Testing Methods—Theory and Practice
May 4, 2021 (v1)
Subject: Energy Management
Keywords: construction of solar thermal collector, efficiency characteristics, equivalent thermal network, parametric identification, thermo-electric analogy, time constant
One of the most important problems of operating solar heating systems involves variable efficiency depending on operating conditions. This problem is more pronounced in hybrid energy systems, where a solar installation cooperates with other segments based on conventional carriers of energy or renewable sources of energy. The operating cost of each segment of a hybrid system depends mainly on the resulting efficiency of solar installation. For over 40 years, the procedures of testing solar collectors have been undergoing development, testing, comparison and verification in order to create a procedure that would allow determining the thermal behavior of a solar collector without performing expensive and complicated experimental tests, usually based on the steady state condition. The proper determination of the static and dynamic properties of a solar collector is of key significance, as they constitute a basis for the design of a solar heating installation, as well as a control system. I... [more]
147. LAPSE:2021.0342
Bioactive and Topographically-Modified Electrospun Membranes for the Creation of New Bone Regeneration Models
May 4, 2021 (v1)
Subject: Biosystems
Keywords: artificial microenvironment, bioglass, bone regeneration, ECM proteins, electrospun membrane
Bone injuries that arise from trauma, cancer treatment, or infection are a major and growing global challenge. An increasingly ageing population plays a key role in this, since a growing number of fractures are due to diseases such as osteoporosis, which place a burden on healthcare systems. Current reparative strategies do not sufficiently consider cell-substrate interactions that are found in healthy tissues; therefore, the need for more complex models is clear. The creation of in vitro defined 3D microenvironments is an emerging topographically-orientated approach that provides opportunities to apply knowledge of cell migration and differentiation mechanisms to the creation of new cell substrates. Moreover, introducing biofunctional agents within in vitro models for bone regeneration has allowed, to a certain degree, the control of cell fate towards osteogenic pathways. In this research, we applied three methods for functionalizing spatially-confined electrospun artificial microenvi... [more]
148. LAPSE:2021.0341
Suzuki−Miyaura Reactions of (4-bromophenyl)-4,6-dichloropyrimidine through Commercially Available Palladium Catalyst: Synthesis, Optimization and Their Structural Aspects Identification through Computational Studies
May 4, 2021 (v1)
Subject: Reaction Engineering
Keywords: DFT, FMO, Pd catalyst, reactivity descriptors, Suzuki–Miyaura
5-(4-bromophenyl)-4,6-dichloropyrimidine was arylated with several aryl/heteroaryl boronic acids via the Suzuki cross-coupling reaction by using Pd(0) catalyst to yield novel pyrimidine analogs (3a-h). It was optimized so that good yields were obtained when 5 mol % Pd(PPh3)4 was used along with K3PO4 and 1,4-Dioxane. Electron-rich boronic acids were succeeded to produce good yields of products. Density functional theory (DFT) calculations were also applied on these new compounds to analyze their reactivity descriptors and electronic and structural relationship. According to DFT studies, compound 3f is the most reactive one, while 3g is the most stable one. As per DFT studies, the hyperpolarizability (β) values of these compounds do not show them as very good non-linear optical (NLO) materials. Compound 3f has the highest β value among all the compounds under study but still it is not high enough to render it a potent NLO material.
149. LAPSE:2021.0340
Monitoring, Diffusion and Source Speculation Model of Urban Soil Pollution
May 4, 2021 (v1)
Subject: Food & Agricultural Processes
Keywords: air subsidence model, convective dispersion model, kriging interpolation, pollution of soil heavy metals
The rapid industrialization of cities has brought many challenges to the environment and resources. Industrial wastes, automobile exhaust, coal combustion soot and other pollutants accumulate in urban soil, and the characteristics of urban soil are changed, causing many pollutants to accumulate in the urban soil environment. Heavy metals are toxic and harmful pollutants existing in soil that cannot be biodegraded or thermally degraded; thus, heavy metals pose a threat to environmental quality and humans. To solve the environmental pollution of soil heavy metals, we utilize kriging interpolation to determine the geological distribution of the environmental pollution of metal elements and analyze the main causes of soil heavy metal pollution. Next, the propagation characteristics and diffusion process of heavy metal pollutants are thoroughly analyzed; in addition, an improved one-dimensional convective dispersion model and an improved air subsidence model are established, and real urban... [more]
150. LAPSE:2021.0339
Effect of Rotor Spacing and Duct Diffusion Angle on the Aerodynamic Performances of a Counter-Rotating Ducted Fan in Hover Mode
May 4, 2021 (v1)
Subject: Other
Keywords: figure of merit, frozen rotor, power coefficient, thrust coefficient, UAV
The aerodynamic performance of a counter-rotating ducted fan in hover mode is numerically analyzed for different rotor spacings and duct diffusion angles. The design of the counter-rotating fan is inspired by a custom-designed single rotor ducted fan used in a previous study. The numerical model to predict the aerodynamic performance of the counter-rotating ducted fan is developed by adopting the frozen rotor approach for steady-state incompressible flow conditions. The relative angle between the front and the rear rotor is examined due to the usage of the frozen rotor model. The results show that the variation of thrust for the different relative angles is extremely low. The aerodynamic performances are evaluated by comparing the thrust, thrust coefficient, power coefficient, and figure of merit (FOM). The thrust, thrust coefficient, and FOM slightly increase with increasing rotor spacing up to 200 mm, regardless of the duct diffusion angle, and reduce on further increase in the rotor... [more]
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