Thermal transport and chemical conversion in single reacting sorbent particles

The effects of particle size and carbon dioxide concentration on chemical conversion in engineered spherical particles undergoing calcium oxide looping are investigated. Particles are thermochemically cycled in a furnace under different carbon dioxide concentrations. Changes in composition due to chemical reactions are measured using thermogravimetric analysis. Gas composition at the furnace exit is evaluated with mass spectroscopy. A numerical model of thermal transport phenomena developed previously is adapted to match the physical system investigated in the present study. The model is used to elucidate effects of reacting medium characteristics on particle temperature and reaction extent. Experimental and numerical results show that (1) an increase in particle size results in a decrease in carbonation extent, and (2) the carbonation step consists of fast and slow reaction regimes. The reaction rates in the fast and slow carbonation regimes increase with increasing carbon dioxide concentration. The effect of carbon dioxide concentration and the distinction between the fast and slow regimes become more pronounced with increasing particle size.     

多晶硅表面金属催化化学腐蚀法制绒研究现状

在多晶硅太阳能电池的生产过程中, 金刚线切割技术(Diamond wire sawn, DWS)具有切割速度快、精度高、原材料损耗少等优点, 受到了广泛关注。金刚线切割多晶硅表面形成的损伤层较浅, 与传统的酸腐蚀制绒技术无法匹配, 金属催化化学腐蚀法应运而生。金属催化化学腐蚀法制绒具有操作简单、结构可控且易形成高深宽比的绒面等优点, 具有广阔的应用前景。本文总结了不同类型的金属催化剂在制绒过程中的腐蚀机理及其形成的绒面结构, 深入分析和讨论了具有代表性的银、铜的单一及复合催化腐蚀过程及绒面结构和电池片性能。最后对金刚线切割多晶硅片表面的金属催化化学腐蚀法存在的问题进行了分析, 并展望了未来的研究方向。     

Potassium titanate whiskers on the walls of cordierite honeycomb ceramics for soot catalytic combustion

In this paper, potassium titanate whiskers was prepared via the Molten salt synthesis on the surface of cordierite ceramics for the regeneration of diesel particulate filters (DPFs). SEM, EDS, XRD, FT-IR, TG-DSC and TPO were carried out to characterize the morphology, microstructure, growth mechanism and catalytic performance of the samples. Potassium titanate whiskers with diameter (100–500 nm) and length (about 3 μm) is tightly combined with the cordierite ceramic substrate. The catalyst performance investigation demonstrates that potassium titanate whiskers decrease the soot combustion temperature apparently. The soot combustion process was studied by thermal analysis tests, and the activation energy of the combustion reaction can be calculated using Freeman-Carroll method. The carbon oxidation activation energy is 14.009 kcal/mol, and the activation energy for the catalytic reaction with potassium titanate whiskers is 6.287 kcal/mol, it can be illustrated that potassium titanate whiskers/cordierite catalyst possess excellence performance for carbon catalytic combustion. The coarseness of the interface increased because potassium titanate whiskers grew on the cordierite substrate, and the trapping ability could improve. This unique microstructure has potential application in the DPF field.     

Theoretical study on a kind of cyclization mechanism of boron trichloride and hexamethyldisilazane to form the borazine ring for SiBCN ceramics precursor

Borazine rings act as a pivotal part in siliconboroncarbonitride ceramics (SiBCN) for high-temperature stability and great resistance to crystallization. A detailed investigation of the ring formation mechanism will guide the design and synthesis of SiBCN to meet application requirements under extreme conditions. Boron trichloride (BCl₃) and hexamethyldisilazane (HN(SiMe₃)₂) are common raw materials for the synthesis of precursors for SiBCN. In this paper, quantum chemical calculation was used to study the cyclization reaction mechanism between BCl₃ and HN(SiMe₃)₂ to form trichloroborazine (TCBZ) at the MP2/6-31G (d,p) level of theory. We discussed the structure properties, reaction pathways, energy barriers, reaction rates, and other aspects in detail. The results show that BCl₃ and HN(SiMe₃)₂ alternately participate in the reaction process, accompanied by the release of trimethylchlorosilane (TMCS), and that the entire reaction shows an absolute advantage in terms of energy. In the Step by step reaction, lower reaction barriers are formed due to the introduction of BCl₃ with more heat released compared to that for the introduction of HN(SiMe₃)₂. The final single-molecule cyclization and TMCS elimination steps are found to be faster compared to all previous bimolecular reactions.     

Strategies To Design Selective Histone Deacetylase Inhibitors

This review classifies drug-design strategies successfully implemented in the development of histone deacetylase (HDAC) inhibitors, which have many applications including cancer treatment. Our focus is on especially demanded selective HDAC inhibitors and their structure-activity relationships in relation to corresponding protein structures. The main part of the paper is divided into six subsections each narrating how optimization of one of six structural features can influence inhibitor selectivity. It starts with the impact of the zinc binding group on selectivity, continues with the optimization of the linker placed in the substrate binding tunnel as well as the adjustment of the cap group interacting with the surface of the protein, and ends with the addition of groups targeting class-specific sub-pockets: the side-pocket-, lower-pocket- and foot-pocket-targeting groups. The review is rounded off with a conclusion and an outlook on the future of HDAC inhibitor design.     

Vapor linker exchange of partially amorphous metal–organic framework membranes for ultra-selective gas separation

Metal–organic framework (MOF) membranes are promising for efficient separation applications. However, the uncontrollable pathways at atomic level impede the further development of these membranes for molecular separation. Herein we show that vapor linker exchange can induce partial amorphization of MOF membranes and then reduce their transport pathways for precisely molecular sieving. Through exchanging MOF linkers by incoming ones with similar topology but higher acidity, the resulted metal-linker bonds with lower strength cause the transformation of MOF membranes from order to disorder/amorphous. The linker exchange and partial amorphization can narrow intrinsic apertures and conglutinate grain boundary/crack defects of membranes. Because of the formation of ultra-microporous amorphous phase, the MOF composite membrane shows competitive H₂/CO₂ selectivity up to 2400, which is about two orders of magnitude higher than that of conventional MOF membranes, accompanied by high H₂ permeance of 13.4 × 10⁻⁸ mol m⁻² s⁻¹ Pa⁻¹ and good reproducibility and stability.     

Flash Lamps as Ignition and Initiation Sources of the VS-2 Pyrotechnic Composition

In the present work it is found that the pyrotechnic composition VS-2 can be initiated with flash lamps IFC-500 and EVIS. VS-2 pyrotechnic composition contains 90% of mercury（Ⅱ） 5-hydrazinotetrazolate perchlorate and 10% of optically transparent copolymer of 2-methyl-5-vinyltetrazole and methacrylic acid （PVMT）. We have found that the flash lamps make it possible to initiate combustion of VS-2 composition with its transition to detonation both in cylindrical charges placed in brass caps of 5 mm diameter and 2 mm high， and film charges with 10 mm×80 mm in size and surface weights of 60 mg·cm^-2 and 90 mg·cm^-2， showing ignition delay times 10 μs and 3 μs， respectively. We also measured detonation velocities for VS-2 composition film charges， which were 4375-4505 m·s^-1 （of the charge being surface mass 60 mg·cm^-2） and 4221-4281 m·s^-1 （of the charge being surface mass 90 mg·cm^-2） and their blasting action on the aluminum plate. The depths of the normal shock wave imprints at the charge-barrier interface were 0.6-0.7 mm （for surface mass of the film charges 60 mg·cm^-2） and 1.2-1.3 mm （for surface mass of the film charges 90 mg·cm^-2）.     

Effect of heat loss on the syngas production by fuel-rich combustion in a divergent two-layer burner

The effect of heat loss on the syngas production from partial combustion of fuel-rich in a divergent two-layer burner is numerically studied using two-dimensional model with detailed kinetics GRI-Mech 1.2. Both the radiation and wall heat losses to the surrounding are considered in the computations. It is shown that two types heat losses have different effects on the syngas production. The radiation heat loss has significant effect on the syngas temperature and the syngas temperature is dropped as radiation heat loss is increased, but it has neglected effect on the reforming efficiency and methane conversion efficiency. The wall heat loss has a comprehensive effect on the syngas production. The wall heat loss not only reduces the conversion efficiency, but also significantly decreases the syngas temperature. The effect of wall heat loss becomes weak as the equivalence is increased. The reforming efficiency drops from 0.440 to 0.424 for equivalence ratio of 2 and mixture velocity of 0.17 m/s for the predictions between adiabatic wall and non-adiabatic conditions.     

Multi-dimensional modeling of mixture preparation in a direct injection engine fueled with gaseous hydrogen

With the recent advances of direct injection (DI) technology, introducing hydrogen into the combustion chamber through DI is being considered as a viable approach to circumvent backfire and pre-ignition encountered in early generations of hydrogen engines. As part of a broader vision to develop a robust numerical model to study hydrogen spark ignition (SI) combustion in internal combustion (IC) engines, the present numerical investigation focuses on mixture preparation in a hydrogen DI SI engine. This study is carried out with a single hole injector with gaseous hydrogen injected at 100 bar injection pressure. Simulations are carried out for high and low tumble configurations and validated against optical data acquired from planar laser induced fluorescence (PLIF) measurements. Varying mesh configurations are investigated for the impact on in-cylinder mixture distribution. A particular emphasis is placed on the effect of nozzle geometry and mesh orientation near the wall. Overall, the computational model is found to predict the mixture distribution in the combustion cylinder reasonably well. The results showed that the alignment of mesh with the flow direction is important to achieve good agreement between numerical analysis and optical measurement data.     

Entropy generation minimization on electromagnetohydrodynamic radiative Casson nanofluid flow over a melting Riga plate

Minimizing entropy generation is a technique that helps improve the effectiveness of real processes by studying the associated irreversibility of system performance of nanofluid. This study examines the entropy generation analysis of electromagnetohydrodynamic radiative Casson flow induced by a stretching Riga plate in a non-Darcian porous medium under the influence of internal energy change, Arrhenius activation energy, chemical reaction, and melting heat transfer. The thermophysical features of the fluid are assumed constant in most of the literature. However, this current research bridges this gap by considering viscosity, conductivity, and diffusivity as temperature-dependent variables. Also, the exponential decaying Grinberg term is used as a resistive force in this investigation due to the electromagnetic properties of the Riga plate in the momentum conservation equation. Some suitable dimensionless variables are introduced to remodel the transport equations into unitless ones and then solved numerically by employing Galerkin Weighted Residual Method. Analyses reveal that the Casson parameter declines the fluid velocity, while the existence of the melting parameter has the opposite effect. Also, this article includes some future recommendations.