A reduced combustion mechanism of ammonia/diesel optimized with multi-objective genetic algorithm

For the deep understanding on combustion of ammonia/diesel,this study develops a reduced mechanism of ammonia/diesel with 227 species and 937 reactions.The sub-mechanism on ammonia/interactions of N-based and C-based species(N—C)/NOx is optimized using the Non-dominated Sorting Genetic Algorithm II(NSGA-II)with 200 generations.The optimized mechanism(named as 937b)is validated against combustion characteristics of ammonia/methane(which is used to examine the accuracy of N—C interactions)and ammonia/diesel blends.The ignition delay times(IDTs),the laminar flame speeds and most of key intermediate species during the combustion of ammonia/methane blends can be accurately simulated by 937b under a wide range of conditions.As for ammonia/diesel blends with various diesel energy fractions,reasonable predictions on the IDTs under pressures from 1.0 MPa to5.0 MPa as well as the laminar flame speeds are also achieved by 937b.In particular,with regard to the IDT simulations of ammonia/diesel blends,937b makes progress in both aspects of overall accuracy and computational efficiency,compared to a detailed ammonia/diesel mechanism.Further kinetic analysis reveals that the reaction pathway of ammonia during the combustion of ammonia/diesel blend mainly differs in the tendencies of oxygen additions to NH_2 and NH with different equivalence ratios.

Effect and Mechanism of Rare Earth Hydrotalcite Inhibiting Coal Spontaneous Combustion

A hydrotalcite(layered double hydroxide, LDH) inhibitor which is suitable for the whole process of coal spontaneous combustion and a LDH inhibitor containing rare earth lanthanum elements were prepared. The inhibition effect and mechanism were analyzed by scanning electron microscopy(SEM),X-ray diffraction(XRD), thermal performance analysis, in-situ diffuse reflectance infrared spectroscopy and temperature-programmed experiment. The results have shown that the inhibitor containing lanthanum can play a good inhibitory role in every stage of coal oxidation. During the slow oxidation of coal samples, the inhibitor containing lanthanum ions can slow down the oxidation process of coal and increase the initial temperature of coal spontaneous combustion. At the same time, because the hydroxyl groups in LDHs are connected with-COO-groups on the coal surface through hydrogen bonds, the stability of coal is improved. With the increase of temperature, LDHs can remove interlayer water molecules and reduce the surface temperature of coal. CO release rate of coal samples decreases significantly after adding inhibitor containing lanthanum element, and the maximum inhibition rate of the inhibitor is 58.1%.

Combustion mechanism and control approaches of underground coal fires:a review

With the large-scale mining of coal resources,the huge economic losses and environmental problems caused by underground coal fires have become increasingly prominent,and the research on the status quo and response strategies of underground coal fires is of great significance to accelerate the green prevention and control of coal fires,energy conservation and emission reduction.In this paper,we summarized and sorted out the research status of underground coal fires,focused on the theoretical and technical issues such as underground coal fire combustion mechanism,multiphysics coupling effect of coal fire combustion,fire prevention and extinguishing technology for underground coal fires,and beneficial utilization technology,and described the latest research progress of the prevention and control for underground coal fire hazards.Finally,the key research problems in the field of underground coal fire hazards prevention and control were proposed in the direction of the basic theory,technology research,comprehensive management and utilization,with a view to providing ideas and solutions for the management of underground coal fires.

Activation of anthracite combustion by copper acetate:mechanism,effect of particle size and introduction method

This paper addressed the efect of copper acetate on the combustion characteristics of anthracite depending on the fractional composition of fuel and additive introduction method.Anthracite was impregnated with 5 wt%of Cu(CH_(3)COO)_(2)by mechanical mixing and incipient wetness impregnation.Four anthracite samples of diferent fraction with d<0.1 mm,d=0.1-0.5 mm,d=0.5-1.0 mm,and d=1.0-2.0 mm were compared.According to EDX mapping,incipient wetness impregnation provides a higher dispersion of the additive and its uniform distribution in the sample.The ignition and combustion characteristics of the modifed anthracite samples were studied by thermal analysis and high-speed video recording of the processes in a combustion chamber(at heating medium temperature of 800℃).It was found that copper acetate increases anthracite reactivity,which was evidenced by decreased onset temperature of combustion(ΔT_(i))by 35-190℃and reduced ignition delay time(Δτ_(i))by 2.1-5.4 s.Copper acetate reduces fuel underburning(on average by 70%)in the ash residue of anthracite and decreases the amount of CO and NO_(x)in gas-phase products(on average by 18.5%and 20.8%,respectively).The mechanism for activation of anthracite combustion by copper acetate is proposed.

Combustion behavior and mechanism of molecular perovskite energetic material DAP-4-based composites with metal fuel Al

Combined with the oxidizer anions and fuel cations,molecular perovskite energetic materials show a good potential.In this work,the combustion behavior and mechanism of metal fuel aluminium(Al)with molecular perovskite energetic material(H_(2)dabco)[NH4(ClO_(4))_(3)](DAP-4)as a high-energy oxidant was investigated.The DAP-4 based composites with metal fuel Al were designed and fabricated by the different mass ratios.Results showed that DAP-4 exhibits a good oxygen-supplied capacity for enhancing the combustion performance of Al.The maximum combustion heat of DAP-4/Al-3 at the Al/O mass ratio of 38:62 is up to 10,412 J/g in the inert gas,which is higher than those of other ratios and the mixtures of other energetic materials and Al.The evolution of pressure output,pressurization rate,and flame temperature was monitored for DAP-4/Al with different mass ratios.Composites DAP-4/Al/F were characterized by burning rates.The combustion reaction mechanism of metal fuel Al with DAP-4 as a high-energy oxidant was provided.DAP-4 was ignited firstly and released acid and oxidizing gases,which corroded Al_(2)O_(3)shells on Al particle surfaces and accelerated the combustion reaction with Al to release a lot of energy.This work offered a new idea that molecular perovskite energetic materials have great potential in the high-energy Al-based solid rocket propellants.

Mechanism of mechanical activation for spontaneous combustion of sulfide minerals

In order to uncover the intrinsic reasons for spontaneous combustion of sulfide minerals,representative samples were collected from typical metal mines to carry out the mechanical activation experiment.The structures and heat behaviors of activated samples were characterized by scanning electron microscopy（SEM）,X-ray diffraction（XRD） analysis,and simultaneous thermal analysis（STA）.It is found that the sulfide minerals after mechanical activation show many changes with increased specific surface areas,aggregation phenomenon,decreased diffraction peak intensity,broadened diffraction peak,declined initial temperatures of heat release and self-ignition points.A new theory for explaining the spontaneous combustion of sulfide minerals is put forward：the chemical reaction activity of sulfide minerals is heightened by all kinds of mechanical forces during the mining,and the spontaneous combustion takes place finally under proper environment.

Natural Lignin:A Sustainable and Cost-Effective Electrode Material for High-Temperature Na-Ion Battery

Rechargeable sodium-ion batteries usually suffer from accelerated electrode destruction at high temperatures and high synthesis costs of electrode materials.Therefore,it is highly desirable to explore novel organic electrodes considering their cost-effectiveness and large adaptability to volume changes.Herein,natural biomass,pristine lignin,is employed as the sodium-ion battery anodes,and their sodium storage performance is investigated at room temperature and 60℃.The lignin anodes exhibit excellent high-temperature sodium-ion battery performance.This mainly results from the generation of abundant reactive sites(C=O)due to the high temperature-induced homogeneous cleavage of the C_(β)-O bond in the lignin macromolecule.This work can inspire researchers to explore other natural organic materials for large-scale applications and high-value utilization in advanced energy storage devices.

Effects of nano-metal oxide additives on ignition and combustion properties of MICs-boron rich fuels

Boron has been considered a promising powdered metal fuel for enhancing composite propellants'energy output due to its high energy density.However,the high ignition temperature and low combustion efficiency limit the application of boron powder due to the high boiling point of the boron oxide layer.Much research is ongoing to overcome these shortcomings,and one potential approach is to introduce a small quantity of metal oxide additives to promote the reaction of boron.This study prepared boron-rich fuels with 10 wt%of eight nano-metal oxide additives by mechanical ball milling.The effect of metal oxides on the thermo-oxidation,ignition,and combustion properties of boron powder was comprehensively studied by the thermogravimetric analysis(TG),the electrically heated filament setup(T-jump),and the laser-induced combustion experiments.TG experiments at 5 K/min found that Bi_(2)O_(3),MoO_(3),TiO_(2),Fe_(2)O_(3),and CuO can promote thermo-oxidation of boron.Compared to pure boron,Tonsetcan be reduced from 569℃to a minimum of 449℃(B/Bi_(2)O_(3)).Infrared temperature measurement in T-jump tests showed that when heated by an electric heating wire at rates from 1000 K/s to 25000 K/s,the ignition temperatures of B/Bi_(2)O_(3) are the lowest,even lower than the melting point of boron oxide.Ignition images and SEM for the products further showed that the high heating rate is beneficial to the rapid reaction of boron powder in the single-particle combustion state.Fuels(B/Bi_(2)O_(3),B/MoO_(3),and B/CuO)were mixed with the oxidant AP and ignited by laser to study the combustion performance.The results showed that B/CuO/AP has the largest flame area,the highest BO_(2) characteristic spectral intensity,and the largest burn rate for powder lines.To combine the advantages of CuO and Bi_(2)O_(3),binary metal oxide(CBO,mass ratio of 3:1)was prepared and the test results showed that CBO can very well improve both ignition and combustion properties of boron.Especially B/CBO/AP has the highest burn rate compared with all fuels containing other additives.It was found that multi-component metal-oxide additive can more synergistically improve the reaction characteristics of boron powder than unary additive.These findings contribute to the development of boron-rich fuels and their application in propellants.

New Problems of Boiler Corrosion after Coupling Combustion of Coal and Biomass and Anti-Corrosion Technologies

This study explores the corrosion issues arising from the coupled combustion of coal and biomass and proposes potential solutions.Biomass,as a renewable energy source,offers advantages in energy-saving and carbon reduction.However,the corrosive effects of alkali metal compounds,sulfur(S)and chlorine(Cl)elements in the ash after combustion cannot be underestimated due to the high volatile content of biomass fuels.We investigate the corrosion mechanisms,as well as the transfer of Cl and alkali metal elements during this process.Comparative corrosion analyses are conducted among coal-fired boilers,pure biomass boilers and boilers with coupled combustion.Various biomass types in co-firing are studied to understand different corrosion outcomes.The main factors influencing corrosion include the physicochemical properties of biomass feedstock,furnace temperature and heating surface materials,with the chemical composition and ash content of biomass playing a dominant role.Currently,the methods used for anti-corrosion include water washing pretreatment of biomass feedstock,application of novel alloys and coatings and the development of additives to inhibit fouling,ash deposition and corrosion.Efficient inhibitors are economical and easy to produce.Additionally,biomass can be converted into biomass gasification gas,although challenges related to tar still need to be addressed.

Bimetallic CoNi single atoms supported on three-dimensionally ordered mesoporous chromia:highly active catalysts for n-hexane combustion

Developing the alternative supported noble metal catalysts with low cost,high catalytic efficiency,and good resistance toward carbon dioxide and water vapor is critically demanded for the oxidative removal of volatile organic compounds(VOCs).In this work,we prepared the mesoporous chromia-supported bimetallic Co and Ni single-atom(Co_(1)Ni_(1)/meso-Cr_(2)O_(3))and bimetallic Co and Ni nanoparticle(Co_(NP)Ni_(NP)/mesoCr_(2)O_(3))catalysts adopting the one-pot polyvinyl pyrrolidone(PVP)-and polyvinyl alcohol(PVA)-protecting approaches,respectively.The results indicate that the Co_(1)Ni_(1)/meso-Cr_(2)O_(3)catalyst exhibited the best catalytic activity for n-hexane(C_(6)H_(14))combustion(T_(50%)and T_(90%)were 239 and 263℃ at a space velocity of 40,000 mL g^(-1)h^(-1);apparent activation energy and specific reaction rate at 260℃ were 54.7 kJ mol^(-1)and 4.3×10^(-7)mol g^(-1)_(cat)s^(-1),respectively),which was associated with its higher(Cr^(5+)+Cr^(6+))amount,large n-hexane adsorption capacity,and good lattice oxygen mobility that could enhance the deep oxidation of n-hexane,in which Ni_(1) was beneficial for the enhancements in surface lattice oxygen mobility and low-temperature reducibility,while Co_(1) preferred to generate higher contents of the high-valence states of chromium and surface oxygen species as well as adsorption and activation of n-hexane.n-Hexane combustion takes place via the Mars van Krevelen(MvK)mechanism,and its reaction pathways are as follows:n-hexane→olefins or 3-hexyl hydroperoxide→3-hexanone,2-hexanone or 2,5-dimethyltetrahydrofuran→2-methyloxirane or 2-ethyl-oxetane→acrylic acid→CO_x→CO_(2)and H_(2)O.

Enhancement of the Mechanical Performance of SiCf/Phenolic Composites after High-temperature Pyrolysis Using ZrC/B_(4)C Particles

The composites were prepared by modifying silicon carbide fiber with particles of zirconium carbide(ZrC)and boron carbide(B_(4)C)and incorporating them into a phenolic resin matrix.The influence of ZrC and B_(4)C on the mechanical performance of SiCf/phenolic composites after high-temperature pyrolysis was studied through flexural performance test.The results show that the composite material has good thermal stability and high-temperature mechanical properties.After static ablation at 1400℃ for 15 minutes,the flexural strength of the composite material reaches 286 MPa,which is still 7.3%higher than at room temperature,indicating that the composite material still has good mechanical properties even after heat treatment at 1400℃.

Dissolution-precipitation mechanism of self-propagating high-temperature synthesis of TiC-Cu cermets

The mechanism of self-propagating high-temperature synthesis （SHS） of TiC-Cu cermets was studied using a combustion front quenching method. Microstructural evolution in the quenched sample was observed using scanning electron microscope （SEM） with energy dispersive X-ray （EDX） spectrometry, and the combustion temperature was measured. The results showed that the combustion reaction started with local formation of Ti-Cu melt and could be described with the dissolution-precipitation mechanism, namely, Ti, Cu, and C particles dissolved into the Ti-Cu solution and TiC particles precipitated in the saturated Ti-Cu-C liquid solution. The local formation of Ti-Cu melt resulted from the solid diffusion between Ti and Cu particles.

Influencing factors and mechanism of high-temperature oxidation of high-entropy alloys: A review

High-temperature oxidation is a common failure in high-temperature environments,which widely occur in aircraft engines and aerospace thrusters;as a result,the development of anti-high-temperature oxidation materials has been pursued.Ni-based alloys are a common high-temperature material;however,they are too expensive.High-entropy alloys are alternatives for the anti-oxidation property at high temperatures because of their special structure and properties.The recent achievements of high-temperature oxidation are reviewed in this paper.The high-temperature oxidation environment,temperature,phase structure,alloy elements,and preparation methods of high-entropy alloys are summarized.The reason why high-entropy alloys have anti-oxidation ability at high temperatures is illuminated.Current research,material selection,and application prospects of high-temperature oxidation are introduced.

Development and testing of a detailed kinetic mechanism of natural gas combustion in internal combustion engine

A detailed chemical mechanism to describe the combustion of natural gas in internal combustion （IC） engine has been developed,which is consisting of 233 reversible reactions and 79 species.This mechanism accounts for the oxidation of methane,ethane,propane and nitrogen.It has been tested using IC engine model of CHEMKIN 4.1.1 and experimental measurements.The performance of the proposed mechanism was evaluated at various equivalence ratios （φ=0.6 to φ=1.3）,initial reactor conditions （Tini=500 to 3500 ℃; Pini=1.0 to 10 atm） and engine speed （2000-7000 rpm）.The proposed kinetic mechanism shows good concordances with GRI3.0 mechanism especially in the prediction of temperature,pressure and major product species （H2O,CO2） profiles at stoichiometric conditions （φ=1.0）.The experimental results of measured cylinder pressure,species fractions were also in agreement with simulation results derived from the proposed kinetic mechanism.The proposed mechanism successfully predicts the formation of gaseous pollutants （CO,NO,NO2,NH3） in the engine exhaust.Although there are some discrepancies among each simulation profile,the proposed detailed mechanism is good to represent the combustion of natural gas in IC engine.

Kerosene-fueled supersonic combustion modeling based on skeletal mechanisms

A brief review of the recent advances in kerosene-fueled supersonic combustion modeling is present by comparing the fuels,reviewing the kinetic mechanisms,and introducing recent modeling results.The advantages and disadvantages of hydrogen and kerosene for the scramjet combustor are compared to show that kerosene is a more viable fuel option for a Mach number range of 4-8.However,detailed kinetic mechanisms for kerosene,which usually contain thousands of elementary reactions,must be significantly reduced for use in modeling.As of this writing,the smallest skeletal kerosene mechanism has only 19 species and 53 reversible reactions.In contrast to pioneer models based on global chemistry,the current kerosene-fueled supersonic combustion models based on reduced/skeletal chemistry are classified as second-stage.The influence of kinetic mechanisms,global equivalence ratios,inlet Mach number,geometric shape,and domain symmetry are reviewed based on high-fidelity models and available measurements.With the advances in computational technology,models with accurate descriptions of both flow and chemistry are becoming a promising,indispensable approach for the study of supersonic combustion.

Theoretical study of reduction mechanism of Fe_(2)O_(3) by H_(2) during chemical looping combustion

An atomic-level insight into the H_(2)adsorption and oxidation on the Fe_(2)O_(3)surface during chemicallooping combustion was provided on the basis of density functional theory calculations in this study.The results indicated that H_(2)molecule most likely chemisorbs on the Fe_(2)O_(3)surface in a dissociative mode.The decomposed H atoms then could adsorb on the Fe and O atoms or on the two neighboring O atoms of the surface.In particular,the H_(2)molecule adsorbed on an O top site could directly form H_(2)O precursor on the O_(3)-terminated surface.Further,the newly formed H-O bond was activated,and the H atom could migrate from one O site to another,consequently forming the H_(2)O precursor.In the H_(2)oxidation process,the decomposition of H_(2)molecule was the rate-determining step for the O_(3)-terminated surface with an activation energy of 1.53 eV.However,the formation of H_(2)O was the ratedetermining step for the Fe-terminated surface with an activation energy of 1.64 eV.The Feterminated surface is less energetically favorable for H_(2)oxidation than that the O_(3)-terminated surface owing to the steric hindrance of Fe atom.These results provide a fundamental understanding about the reaction mechanism of Fe_(2)O_(3)with H_(2),which is helpful for the rational design of Fe-based oxygen carrier and the usage of green energy resource such as H_(2).

Experimental study on explosive mechanism of spontaneous combustion gangue dump

In order to explore the reason for the frequency explosion of spontaneous combustion coal gangue dump and get to know their explosion mechanism, established the experiment platform about spontaneous combustion coal gangue dump interoperable water. The gangue dump was heated using the external heat source, and rainy weather through water mist was simulated. Simulated experiment about explosion of spontaneous combustion coal gangue dump was carried out on the different conditions of the rainfall or not. The unusual gases produced in the course of gangue combustion and the changes in temperature were observed, and their impacts on the explosion of gangue dump were analyzed. The experimental results show that overall warming phenomenon of the gangue dump after watering occurred, the amount of H2 is three times than that before watering, and the amount of CO is far greater than that on the conditions of no-watering, at the same time combining with local observation and tests. It is found that the content of the oxygen reduce with the temperature increasing; however, gangue dump internal hydrogen content increase unusually on the rainfall conditions at 90 ℃, but the local measuring points reach the explosion limit. The existence of the CO and H2 is the main reason for inducing the explosion of spontaneous combustion coal gangue dump.

AN INVESTIGATION OF HIGH-TEMPERATURE DEFORMATION STRENGTHENING AND TOUGHENING MECHANISM OF TITANIUM ALLOY

The high-temperature deformation strengthening and toughening mechanisms of titanium alloys have been investigated in this paper. The materials processed by this method produce a new tri-modal microstrvcture, which consists of 10-20% equiaxed alpha, streaky alpha and transformed beta matrix. It is found that the higher ductility of tri-modal microstructure is attributed to the equiaxed alpha's coopemtive slip and coordinated deformation with the transformed beta matrix. The streaky alpha phases not only increase the strength and creep properties, but also increase the fracture toughness. Propagating along grain boundaries between two neighboring streaky alpha phases, cracks in tri-modal microstructure make a more tortuous way, and then the materials show a higher fracture toughness. This new method is applicable to α, near α,α+β and near β titanium alloys.

Effect of extrusion process on microstructure and mechanical properties of Ni_3Al-B-Cr alloy during self-propagation high-temperature synthesis

The well-densified Ni3Al-0.5B-5Cr alloy was fabricated by self-propagation high-temperature synthesis and extrusion technique. Microstructure examination shows that the synthesized alloy has fine microstructure and contains Ni3Al, Al2O3, Ni3B and Cr3Ni2 phases. Moreover, the self-propagation high-temperature synthesis and extrusion lead to great deformation and recrystallization in the alloy, which helps to refine the microstructure and weaken the misorientation. In addition, the subsequent extrusion procedure redistributes the Al2O3 particles and eliminates the γ-Ni phase. Compared with the alloy synthesized without extrusion, the Ni3Al-0.5B-5Cr alloy fabricated by self-propagation high-temperature synthesis and extrusion has better room temperature mechanical properties, which should be ascribed to the microstructure evolution.

Comparative investigations of ternary thermite Al/Fe_(2)O_(3)/CuO and Al/Fe_(2)O_(3)/Bi_(2)O_(3) from pyrolytic,kinetics and combustion behaviors

To develop new energy enhancement energetic materials with great combustion performance and thermal stability,two kinds of ternary thermite,Al/Fe_(2)O_(3)/CuO and Al/Fe_(2)O_(3)/Bi_(2)O_(3),were prepared and analyzed via mechanical ball milling.The samples were characterized by SEM,XRD,TG-DSC,constant volume and constant pressure combustion experiments.The first exothermic peaks of Al/Fe_(2)O_(3)/CuO and Al/Fe_(2)O_(3)/Bi_(2)O_(3) appear at 579°C and 564.5°C,respectively.The corresponding activation energies are similar.The corresponding mechanism functions are set as G(a) = [-ln(1-a)]^(3/4) and G(a) =[-ln(1-a)]2/3,respectively,which belong to the Avrami-Erofeev equation.Al/Fe_(2)O_(3)/CuO has better thermal safety.For small dose samples,its critical temperature of thermal explosion is 121.05°C higher than that of Al/Fe_(2)O_(3)/Bi_(2)O_(3).During combustion,the flame of Al/Fe_(2)O_(3)/CuO is spherical,and the main products are FeAl_(2)O_(4) and Cu.The flame of Al/Fe_(2)O_(3)/Bi_(2)O_(3)is jet-like,and the main products are Al_(2)O_(3),Bi and Fe.Al/Fe_(2)O_(3)/Bi_(2)O_(3)has better ignition and gas production performance.Its average ignition energy is 4.2 J lower than that of Al/Fe_(2)O_(3)/CuO.Its average step-up rate is 28.29 MPa/s,which is much higher than 6.84 MPa/s of Al/Fe_(2)O_(3)/CuO.This paper provides a reference for studying the thermal safety and combustion performance of ternary thermite.