Browse
Subjects
Records with Subject: Materials
2020. LAPSE:2023.18780
Interlayer Microstructure Analysis of the Transition Zone in the Silicon/Perovskite Tandem Solar Cell
March 8, 2023 (v1)
Subject: Materials
Keywords: metal assisted etching, perovskite solar cell, photovoltaics, silicon microwires, silicon nanowires, silicon solar cell, silicon/perovskite tandem, tandem photovoltaics, tandem solar cell, TCS
The aim of the paper was to determine the morphology of the layers and the microstructure of the transition zone present in the proposed tandem solar structure. The bottom-silicon solar cell plays a double role: first as a highly porous non-reflecting material, and second as a scaffold for top-perovskite cell. In the presented solution, the use of a porous layer made of (e.g., TiO2) is excluded in favor of chemically etched wires on the silicon surface. The porous layer of silicon consists of nano- and microwires etched with metal assisted etching (MAE). The perovskite layer is introduced by a two-step chemical method into the spaces between the wires to fully fill them and intentionally form an additional capping layer at the same time. To examine the structure made in this way, advanced microscopic methods were used including scanning electron microscopy (SEM), transmission electron microscopy (TEM), and scanning transmission electron microscopy (STEM), also in high resolution.
2021. LAPSE:2023.18770
Performance Enhancement of Self-Cleaning Hydrophobic Nanocoated Photovoltaic Panels in a Dusty Environment
March 8, 2023 (v1)
Subject: Materials
Keywords: cleaning surface, Energy Efficiency, hydrophobic manufacturing, nanocoating, nanoparticles, photovoltaic panels, self-cleaning, solar energy
The efficiency of a photovoltaic (PV) panels drops significantly in dusty environments. The variation in temperature could have a substantial impact on PV panel cells, which could further lead to high deterioration and eventually permanent damage to the PV material in the presence of dust. To resolve this issue, in this work a novel hydrophobic silicon dioxide (SiO2)-based nanoparticle coating is proposed for the PV panel, to shrink the surface stress developed between the water and the coated facet. Two identical PV modules were installed to conduct comparable experimental tests simultaneously. The first module is coated by the SiO2 nanoparticles, and the second is uncoated and used as a reference. To maintain coherency, the experiments are done in the same environmental conditions, cleaning the PV modules at regular intervals. Results reveal that the accumulated energy generated during this period of study was comprehensively enhanced. Moreover, the self-cleaning property of the hydr... [more]
2022. LAPSE:2023.18766
Advanced Catalysis in Hydrogen Production from Formic Acid and Methanol
March 8, 2023 (v1)
Subject: Materials
Keywords: catalysts, formic acid, hydrogen production
The Special Issue of the Energies journal related to the hydrogen production from formic acid decomposition was published recently by MDPI. This Editorial note contains a short analysis of the papers published in this Special Issue and some historical information connected to this reaction.
2023. LAPSE:2023.18765
Technology for the Recovery of Lithium from Geothermal Brines
March 8, 2023 (v1)
Subject: Materials
Keywords: critical materials, extraction technologies, geothermal brines, lithium
Lithium is the principal component of high-energy-density batteries and is a critical material necessary for the economy and security of the United States. Brines from geothermal power production have been identified as a potential domestic source of lithium; however, lithium-rich geothermal brines are characterized by complex chemistry, high salinity, and high temperatures, which pose unique challenges for economic lithium extraction. The purpose of this paper is to examine and analyze direct lithium extraction technology in the context of developing sustainable lithium production from geothermal brines. In this paper, we are focused on the challenges of applying direct lithium extraction technology to geothermal brines; however, applications to other brines (such as coproduced brines from oil wells) are considered. The most technologically advanced approach for direct lithium extraction from geothermal brines is adsorption of lithium using inorganic sorbents. Other separation process... [more]
2024. LAPSE:2023.18752
Recent Advances in Cellulose Nanofibers Preparation through Energy-Efficient Approaches: A Review
March 8, 2023 (v1)
Subject: Materials
Keywords: cellulose nanofibers, energy-efficient, mechanical process, pretreatments
Cellulose nanofibers (CNFs) and their applications have recently gained significant attention due to the attractive and unique combination of their properties including excellent mechanical properties, surface chemistry, biocompatibility, and most importantly, their abundance from sustainable and renewable resources. Although there are some commercial production plants, mostly in developed countries, the optimum CNF production is still restricted due to the expensive initial investment, high mechanical energy demand, and high relevant production cost. This paper discusses the development of the current trend and most applied methods to introduce energy-efficient approaches for the preparation of CNFs. The production of cost-effective CNFs represents a critical step for introducing bio-based materials to industrial markets and provides a platform for the development of novel high value applications. The key factor remains within the process and feedstock optimization of the production c... [more]
2025. LAPSE:2023.18741
Microwave Technology Using Low Energy Concentrated Beam for Processing of Solid Waste Materials from Rapana thomasiana Seashells
March 8, 2023 (v1)
Subject: Materials
Keywords: Energy Efficiency, microwave heating, Rapana thomasiana solid waste
The solid waste of Rapana thomasiana seashells both from domestic activities and natural waste on seashore can be used to obtain viable products for medical applications. However, conventional technologies applied for sintering the materials require massive energy consumption due to the resistance heating. Microwave heating represents an advanced technology for sintering, but the stability of the process, in terms of thermal runaway and microwave plasma arc discharge, jeopardizes the quality of the sintered products. This paper aims to present the results of research focused on viable heating technology and the mechanical properties of the final products. A comparative analysis, in terms of energy efficiency vs. mechanical properties, has been performed for three different heating technologies: direct microwave heating, hybrid microwave heating and resistance heating. The results obtained concluded that the hybrid microwave heating led to final products from Rapana thomasiana solid was... [more]
2026. LAPSE:2023.18715
DC-Link Capacitor Diagnosis in a Single-Phase Grid-Connected PV System
March 8, 2023 (v1)
Subject: Materials
Keywords: diagnosis of aging, frequency analysis, indicators of degradation, multi-fitting
The DC-link capacitor is one of the components that are more prone to faults in energy-distributed systems based on voltage source inverters. A predictive maintenance approach should allow to foresee the risk of an unexpected system shutdown. In this study, a two-stage diagnostic approach that is aimed at determining the health status of the DC-link capacitor in a single-phase grid-connected PV system was proposed. The equivalent series resistance (ESR) and the capacitance (C) values were used as indicators in the estimation of the degradation stage. Electrochemical impedance spectroscopy (EIS) was used to estimate the impedance curve of the DC-link capacitor, and a multi-fitting algorithm allowed us to determine the ESR and C parameters. A comparison between the estimated values C and ESR and the nominal values was used to quantify the fault severity. It was demonstrated that the EIS allowed the determination of the capacitor impedance regardless of the actual operating conditions of... [more]
2027. LAPSE:2023.18708
Unconventional Well Test Analysis for Assessing Individual Fracture Stages through Post-Treatment Pressure Falloffs: Case Study
March 8, 2023 (v1)
Subject: Materials
Keywords: fracture diagnostic tools, fracture surface area, shale plays, unconventional well testing
Researchers and operators have recently become interested in the individual stage optimization of unconventional reservoir hydraulic fracture. These professionals aim to maximize well performance during an unconventional well’s early-stage and potential Enhanced Oil Recovery (EOR) lifespan. Although there have been advances in hydraulic fracturing technology that allow for the creation of large stimulated reservoir volumes (SRVs), it may not be optimal to use the same treatment design for all stages of a well or many wells in an area. We present a comprehensive review of the main approaches used to discuss applicability, pros and cons, and a detailed comparison between different methodologies. Our research outlines a combination of the Diagnostic Fracture Injection Test (DFIT) and falloff pressure analysis, which can help to design intelligent production and improve well performance. Our field study presents an unconventional well to explain the objective optimization workflow. The ana... [more]
2028. LAPSE:2023.18704
Evaluation of Ground Motion Amplification Effects in Slope Topography Induced by the Arbitrary Directions of Seismic Waves
March 8, 2023 (v1)
Subject: Materials
Keywords: amplification effects, directions of incident waves, equivalent nodal forces, ground motions, slope topography
The incident directions of seismic waves can change the ground motions of slope topography. To elaborate on the influences of the directions of seismic waves, a dynamic analysis of the slope topography was performed. Seismic waves were input using an equivalent nodal force method combined with a viscous-spring artificial boundary. The amplification of ground motions in double-faced slope topographies was discussed by varying the angles of incidence. Meanwhile, the components of seismic waves (P waves and SV waves), slope materials and slope geometries were all investigated with various incident earthquake waves. The results indicated that the pattern of the amplification of SV waves was stronger than that of P waves in the slope topography, especially in the greater incident angels of the incident waves. Soft materials intensely aggravate the acceleration amplification, and more scattered waves are produced under oblique incident earthquake waves. The variations in the acceleration amp... [more]
2029. LAPSE:2023.18699
Pr- and Sm-Substituted Layered Perovskite Oxide Systems for IT-SOFC Cathodes
March 8, 2023 (v1)
Subject: Materials
Keywords: cell, electrical conductivity, electrochemical properties, fuel, intermediate, oxide, solid, temperature-operating, X-ray photoelectron spectroscopy
In this study, the phase synthesis and electrochemical properties of A/A//A///B2O5+d (A/: Lanthanide, A//: Ba, and A//: Sr) layered perovskites in which Pr and Sm were substituted at the A/-site were investigated for cathode materials of Intermediate Temperature-Operating Solid Oxide Fuel cells (IT-SOFC). In the PrxSm1−xBa0.5Sr0.5Co2O5+d (x = 0.1−0.9) systems, tetragonal (x < 0.4) and orthorhombic (x ≥ 0.5) crystalline structures were confirmed according to the substitution amount of Pr, which has a relatively large ionic radius, and Sm, which has a small ionic radius. All of the layered perovskite oxide systems utilized in this study presented typical metallic conductivity behavior, with decreasing electrical conductivity as temperature increased. In addition, Pr0.5Sm0.5Ba0.5Sr0.5Co2O5+d (PSBSCO55), showing a tetragonal crystalline structure, had the lowest conductivity values. However, the Area-Specific Resistance (ASR) of PSBSCO55 was found to be 0.10 Ω cm2 at 700 °C, which is lo... [more]
2030. LAPSE:2023.18691
Effect of Light Irradiation on the Diffusion Rate of the Charge Carrier Hopping Mechanism in P3HT−ZnO Nanoparticles Studied by μ+SR
March 8, 2023 (v1)
Subject: Materials
Keywords: diffusion rate, hybrid solar cells, LF-μ+SR, light irradiation, P3HT–ZnO nanoparticles
Blended regio-regular P3HT−ZnO nanoparticles are a hybrid material developed as an active layer for hybrid solar cells. The study of the hopping mechanisms and diffusion rates of regio-regular P3HT−ZnO nanoparticles is significant for obtaining intrinsic charge transport properties that provide helpful information for preparing high-performance solar cells. The temperature dependences of the parallel and perpendicular diffusion rates in regio-regular P3HT−ZnO nanoparticles determined from muon spin relaxation measurements were investigated by applying various longitudinal fields. We investigated the effect of light irradiation on the diffusion rates in regio-regular P3HT−ZnO nanoparticles. We found that with increasing temperature, the parallel diffusion rate decreased, while the perpendicular diffusion rate increased. The ratio of the parallel to perpendicular diffusion rate (D‖/D⊥) can be used to indicate the dominant charge carrier hopping mechanism. Without light irradiation, perpe... [more]
2031. LAPSE:2023.18676
Calculating the Inrush Current of Superconducting Transformers
March 8, 2023 (v1)
Subject: Materials
Keywords: inrush current, superconductivity, transformer
Under certain circumstances, after connecting a superconducting transformer to the power network, a high value current may flow through its windings. This current can exceed the critical value of the superconductor many times and cause the windings to lose their superconductive state. Loss of superconductive state of the windings may result in thermal interruption of their continuity as a result of conduction of a current of very high density. The mathematical relationships used to calculate the inrush current of conventional transformers do not work well for the calculation of superconducting transformers. This is due to the properties of superconducting materials used in the windings, first of all to the stepwise changes of the windings’ resistance when exiting the superconducting state and when returning to this state. The article presents the mathematical dependencies allowing to calculate the pulse waveforms of the inrush current of these transformers are derived. Basic electrical... [more]
2032. LAPSE:2023.18666
Arc Ablation Resistance and Dielectric Strength Properties of PTFE/BN Composites
March 8, 2023 (v1)
Subject: Materials
Keywords: arc ablation, BN, breakdown, PTFE, thermal conductivity
The substantial improvements in transmission voltage, which have been adopted to meet fast-growing energy demands, require more reliable power equipment and higher-quality insulating materials. The polytetrafluoroethylene (PTFE) nozzle, as the key part of a high-voltage circuit breaker, is often subjected to arc ablation and breakdown phenomena. Thus, it is very urgent to develop nozzles with better performance. In this study, PTFE/boron nitride (BN) composites were prepared. The relationships among the BN filler loading, thermal transition properties, spectral reflectance properties, arc ablation resistance, and AC dielectric breakdown performances, as well as their corresponding mechanisms, were studied. Experimental results show that the thermal conductivity and thermal diffusivity of PTFE/BN composites increased monotonously with BN loading, and that both parameters were improved by 41% and 44%, respectively, for 11 wt % composites compared with pure PTFE. Moreover, PTFE/BN composi... [more]
2033. LAPSE:2023.18632
Aluminium Nitride Doping for Solar Mirrors Self-Cleaning Coatings
March 8, 2023 (v1)
Subject: Materials
Keywords: aluminum nitride, auxetic properties, self-cleaning coatings, solar mirrors, sputtering deposition
Soiling severely reduces solar mirror performance, requiring dispendious water consumption for cleaning operations and causing an increase in the levelized cost of energy (LCOE). An emerging technology for facing this problem consists of developing transparent self-cleaning coatings, able to be washed with a small amount of water by virtue of the modulation of surficial wetting properties. Nevertheless, the beneficial effects of coatings decrease in the first year, and coated mirrors show even higher soiling than non-coated ones. Moreover, it is important that coating production processes are economically convenient, consistent with the intended reduction of overall costs. The aim of this work is the research and development of a cheap and scalable solution, compatible with mirror fabrication steps and, in such a sense, economically advantageous. It involves the substitution of the alumina last layer of solar mirrors with more hydrophobic, potentially auxetic aluminum compounds, such a... [more]
2034. LAPSE:2023.18618
Temperature Characterization of Unipolar-Doped Electroluminescence in Vertical GaN/AlN Heterostructures
March 8, 2023 (v1)
Subject: Materials
Keywords: A exciton, B exciton, electroluminescence, exciton emission, GaN/AlN, holes, interband tunneling, unipolar
An electroluminescence (EL) phenomenon in unipolar-doped GaN/AlN/GaN double-barrier heterostructures—without any p-type contacts—was investigated from 4.2 K to 300 K. In the range of 200−300 K, the extracted peak photon energies agree with the Monemar formula. In the range of 30 to 200 K, the photon energies are consistent with A-exciton emission. At 4.2 K, the exciton type likely transforms into B-exciton. These studies confirm that the EL emission comes from a cross-bandgap (or band-to-band) electron-hole radiative recombination and is excitonic. The excitons are formed by the holes generated through interband tunneling and the electrons injected into the GaN emitter region of the GaN/AlN heterostructure devices.
2035. LAPSE:2023.18595
Characterization of Pliocene Biogenic Gas Reservoirs from the Western Black Sea Shelf (Romanian Offshore) by Integration of Well Logs and Core Data
March 8, 2023 (v1)
Subject: Materials
Keywords: continental shelf, core analysis, electrical resistivity, fluid contacts, formation evaluation, Pliocene biogenic gas, pressure survey, well logging, Western Black Sea
The successful interpretation of open-hole well logging data relies on jointly using all available petrophysical and geological information. This paper presents relevant case studies related to the integration of well logs with core measurements for exploration wells drilled in the Romanian continental shelf area of the Western Black Sea basin. The analyzed wells targeted gas-bearing sands and silts complexes of Early Pliocene (Dacian) age, developed in a deltaic to shallow marine sedimentary environment in two distinct fields. The wireline logging programs included conventional formation evaluation logs, pressure surveys, nuclear magnetic resonance, and borehole electrical imaging logs. The core dataset comprised routine and special measurements (porosity, grain density, permeability, water saturation, and Archie parameters) carried out at quasi-reservoir confining pressure. The wireline logging suites were interpreted via a deterministic workflow, including core-derived interpretatio... [more]
2036. LAPSE:2023.18587
Investigation of Factors Affecting Partial Discharges on Epoxy Resin: Simulation, Experiments, and Reference on Electrical Machines
March 8, 2023 (v1)
Subject: Materials
Keywords: capacitive model, electrical machines, epoxy resin, flashover voltage, insulation system, MATLAB/Simulink, partial discharges
In Power Systems, Synchronous Generators (SGs) are mostly used for generating electricity. Their insulation system, of which epoxy resin is a core component, plays a significant role in reliable operation. Epoxy resin has high mechanical strength, a characteristic that makes it a very good material for reliable SG insulation. Partial Discharges (PDs) are a constant threat to this insulation since they cause deterioration and consequential degradation of the aforementioned material. Therefore, it is very important to detect PDs, as they are both a symptom of insulation deterioration and a means to identify possible faults. Offline and Online PDs Tests are described, and a MATLAB/Simulink model, which simulates the capacitive model of PDs, is presented in this paper. Moreover, experiments are carried out in order to examine how the flashover voltage of epoxy resin samples is affected by different humidity levels. The main purpose of this manuscript is to investigate factors, such as the... [more]
2037. LAPSE:2023.18541
Loss of Liquid Lithium Coolant in an Accident in a DONES Test Cell Facility
March 8, 2023 (v1)
Subject: Materials
Keywords: DONES, fusion, liquid lithium, LOCA, Melcor, numeric coupling
A Demo-Oriented early NEutron Source (DONES) facility for material irradiation with nuclear is currently being designed. DONES aims to produce neutrons with fusion-relevant spectrum and fluence by means of D−Li stripping reactions occurring between a deuteron beam impacting a stable liquid lithium flowing film implementing the target. Given the hazard constituted by the liquid lithium inventory and the potential risk of reactions with water, air, and concrete eventually resulting in fire events, the Target Test Cell (TTC) is filled with helium and the reinforced concrete walls forming the bio-shield are covered with steel liners. A loss of Li in TTC, due to a large break in the Quench Tank, is postulated, and consequences are deterministically studied. With the TTC liner being water-cooled, the impact of the liner temperature rise following a leakage event is evaluated. Two separate MELCOR code models have been defined for the liquid lithium loop and water-cooled loop and are numerical... [more]
2038. LAPSE:2023.18539
Evaluation of Surfactant Mixture for Supercritical Carbon Dioxide Foamed Acid in Carbonate Matrix Acidizing
March 8, 2023 (v1)
Subject: Materials
Keywords: carbonate reservoir, foam stability, matrix acidizing, supercritical CO2 foamed acid, surfactant mixture
The effectiveness of matrix acidizing using CO2 foamed acid is dependent on the duration of foam stability. This paper presents a supercritical CO2 foamed acid with a surfactant mixture to improve the foam stability in carbonate matrix acidizing. The experimental apparatus was developed to conduct foam-stability and wormhole-propagation tests under high-pressure and high-temperature (HPHT) conditions. The foam decay times of five types of surfactants were measured under atmospheric conditions. Trimax (blend of cocamidopropyl betaine, disodium cocoamphodiacetate, and amine oxide) and Aromox C/12W (coco bis-(2-hydroxyethyl) amine oxide) had a high foam decay time. The surfactant mixture was prepared using these two surfactants. The foam stability tests of the surfactant mixture were performed according to the HCl concentration, surfactant mixing ratio, and injection rate of HCl under HPHT conditions. As a result, the foam stability could be improved by adding an HCl concentration of 20%... [more]
2039. LAPSE:2023.18529
Quasi-Static Research of ATV/UTV Non-Pneumatic Tires
March 8, 2023 (v1)
Subject: Materials
Keywords: airless tire, non-pneumatic tire, radial stiffness, spoke deformation
The non-pneumatic tire (NPT) is a type of wheel whichdevelopment is related to the beginning of automotive development. The non-pneumatic tire (NPT) is a type of tire that does not contain compressed gases or fluid to provide directional control and traction. Nowadays, this type of wheel is more and more often used in special purpose vehicles, e.g., in military vehicles and working machines. The main feature of the non-pneumatic tire is a flexible support structure (including the part of the wheel between the tread and the rim). This paper presents the results of research aimed at determining the influence of the geometry of the NPT’s (intended for All-Terrain Vehicle−ATV/Utility Task Vehicle−UTV) load-bearing structure on its quasi-static directional characteristics. The experimental tests included the determination of the radial stiffness of research objects on a non-deformable flat surface and on a single obstacle, as well as the determination of the degree of deformation for the el... [more]
2040. LAPSE:2023.18511
Investigation of Thermoplastic Polyurethane Finger Cushion with Magnetorheological Fluid for Soft-Rigid Gripper
March 8, 2023 (v1)
Subject: Materials
Keywords: 3D printing, finite element analysis (FEA), magnetorheological (MR) fluid, mechanical engineering, soft-rigid gripper, thermoplastic polyurethane (TPU)
This paper presents a study of penetrating a pin into a magnetorheological fluid (MR) cushion focused on the force measurement. The research is supported by detailed finite element analysis (FEA) of the magnetic field distributions in several magnetic field exciters applied to control rheological properties of the MR inside the cushion. The cushion is a part of the finger pad of the jaw soft-rigid gripper and was made of thermoplastic polyurethane (TPU) using 3D printing technology. For the pin-penetrating setup, the use of a holding electromagnet and a magnetic holder were considered and verified by simulation as well as experiment. In further simulation studies, two design solutions using permanent magnets as the source of the magnetic field in the cushion volume to control MR fluid viscosity were considered. The primary aim of the study was to analyze the potential of using an MR fluid in a cushion pad and to investigate the potential for changing its viscosity using different magne... [more]
2041. LAPSE:2023.18463
Roof Color-Based Warm Roof Evaluation in Cold Regions Using a UAV Mounted Thermal Infrared Imaging Camera
March 8, 2023 (v1)
Subject: Materials
Keywords: indoor temperature, surface temperature, thermal infrared images, UAV, warm roof
Existing studies on reducing urban heat island phenomenon and building temperature have been actively conducted; however, studies on investigating the warm roof phenomenon to in-crease the temperature of buildings are insufficient. A cool roof is required in a high-temperature region, while a warm roof is needed in a low-temperature or cold region. Therefore, a warm roof evaluation was conducted in this study using the roof color (black, blue, green, gray, and white), which is relatively easier to install and maintain compared to conventional insulation materials and double walls. A remote sensing method via an unmanned aerial vehicle (UAV)-mounted thermal infrared (TIR) camera was employed. For warm roof evaluation, the accuracy of the TIR camera was verified by comparing it with a laser thermometer, and the correlation between the surface temperature and the room temperature was also confirmed using Pearson correlation. The results showed significant surface temperature differences r... [more]
2042. LAPSE:2023.18462
Modification of Energy Parameters in Wood Pellets with the Use of Waste Cooking Oil
March 8, 2023 (v1)
Subject: Materials
Keywords: ash, calorific value, Carbon, volatile substances, waste cooking oil, wood pellets
Biomass is one of the most important sources of renewable energy. It is expected that in the coming decades, biomass will play a major role in replacing fossil fuels. The most commonly used biofuels include wood pellet, which is a cost-effective, uniform and easy-to-use material. In view of the growing interest in this type of resource, novel methods are being investigated to improve the quality of pellet. This article presents the results of a laboratory study focusing on wood pellets refined with waste sunflower cooking oil applied by spraying. In this work, authors attempted to modify the energy parameters of wood pellets with the use of waste cooking oil. Addition of waste cooking oil, applied at the rates of 2%, 4%, 6%, 8%, 10% and 12% relative to the weight of pellets, increased the calorific value of the pellets without decreasing their durability. The highest dose of the modifier (12%) on average led to a 12−16% increase in calorific value. In each case, the addition of sunflow... [more]
2043. LAPSE:2023.18456
The Proof-of-Concept: The Transformation of Naphthalene and Its Derivatives into Decalin and Its Derivatives during Thermochemical Processing of Sewage Sludge
March 8, 2023 (v1)
Subject: Materials
Keywords: biochar, municipal waste, PAHs, pyrolysis, torrefaction, VOCs, waste management
One solution for sewage sludge (SS) management is thermochemical treatment due to torrefaction and pyrolysis with biochar production. SS biochar may contain toxic volatile organic compounds (VOCs) and polyaromatic hydrocarbons (PAHs). This study aimed to determine the process temperature’s influence on the qualitative PAHs emission from SS-biochar and the transformation of PAHs contained in SS. SS was torrefied/pyrolyzed under temperatures 200−600 °C with 1 h residence time. The headspace solid-phase microextraction (SPME) combined with gas chromatography and mass spectrometry (HS-SPME-GC-MS) analytical procedure of VOCs and PAHs emission was applied. The highest abundance of numerous VOCs was found for torrefaction ranges of temperature. The increase of temperatures to the pyrolytic range decreased the presence of VOCs and PAHs in biochar. The most common VOCs emitted from thermally processed SS were acetone, 2-methylfuran, 2-butanone, 3-metylbutanal, benzene, decalin, and acetic acid... [more]
2044. LAPSE:2023.18451
The Microstructure of γ-Alumina
March 8, 2023 (v1)
Subject: Materials
Keywords: ab initio, alumina, bulk, DFT, materials modeling, spinel, surfaces
Though γ-Al2O3 has played a central role in heterogeneous catalysis for more than two centuries, its microstructure continues to be debated. Specifically, the positions of Al3+ cations within the crystal lattice have been discussed extensively in the literature. Many authors uphold that the cations primarily occupy spinel sites, while others endorse the occupation of non-spinel sites. The other main point of dispute is whether the structure contains interstitial hydrogen, with some authors supporting a partially hydrated model and others claiming that the structure must be completely dehydrated. The use of different structural models directly affects the predicted geometry of γ-Al2O3 at the surface, which in turn has significant implications for its catalytic utility. A comparison of theoretical data to experimental infrared (IR), X-ray diffraction (XRD), and selected area electron diffraction (SAED) evidence suggests that γ-Al2O3 features cations primarily in spinel positions, while I... [more]
[Show All Subjects]
[0.05 s]

