Molecular Dynamics, Diffusion Coefficients and Activation Energy of the Electrolyte (Anode) in Lithium (Li and Li+), Sodium (Na and Na+) and Potassium (K and K+)

This work is a simulation modelling with the LAMMPS calculation code of an electrode based on alkali metals (lithium, sodium and potassium) using the MEAM potential. For different multiplicities, two models were studied;with and without gap. In this work, we present the structural, physical and chemical properties of the lithium, sodium and potassium electrodes. For the structural properties, the cohesive energy and the mesh parameters were calculated, revealing that, whatever the chemical element selected, the compact hexagonal hcp structure is the most stable, followed by the face-centred cubic CFC structure, and finally the BCC structure. The most stable structure is lithium, with a cohesion energy of -6570 eV, and the lowest bcc-hcp transition energy of -0.553 eV/atom, followed by sodium. For physical properties, kinetic and potential energies were calculated for each of the sectioned chemical elements, with lithium achieving the highest value. Finally, for the chemical properties, we studied the diffusion coefficient and the activation energy. Only potassium followed an opposite order to the other two, with the quantities with lacunae being greater than those without lacunae, whatever the multiplicity. The order of magnitude of the diffusion coefficients is given by the relationship DLi > DNa > Dk for the multiplicity 6*6*6, while for the activation energy the order is reversed.

Fundamental Study on Alkali-Activated Slag System with Sodium Carbonate or Calcium Hydroxide

Cement as a building material, has high fluidity, compressive strength, and durability, but carbon dioxide emissions during cement production are a major problem. As one of the countermeasures, alkali-activated cement using blast furnace slag powder with alkaline stimulants is considered to be a very promising solution for reducing carbon dioxide emissions, but there is a lack of information about the fundamental properties of alkali-activated materials. This study presents an experimental investigation of the fundamental properties of an alkali-activated slag system with sodium carbonate (NC) and calcium hydroxide (CH). The effects of calcium sulfo-aluminate (CSA) and shrinkage reducing agent (SRA) on the properties of blast furnace slag (BFS) based alkali-activated mixture were also investigated. In the experiments, fundamental characteristics including compressive strength, drying shrinkage, and water penetration tests of mortar were evaluated. Porosity, pH, and ignition loss were measured to verify the effectiveness of the materials. The experimental investigation revealed that the compressive strength was increased with the increasing replacement rates of NC in the BFS mortar, and in the case of water to BFS ratio of 0.45 with sodium carbonation addition contents 10 wt.%, the compressive strength for 28 days of curing reaches more than 50 MPa. Low water to BFS ratio and higher addition ratio of NC had a positive effect on the compressive strength development of mortar. Incorporating NC into BFS would affect the decrease in porosity and increase in ignition loss, leading to higher compressive strength. There was a negligible change to the compressive strength, porosity, pH, and ignition loss of BFS samples made with CH, thus, the addition rates of CH to BFS have no or little significant effect on the fundamental properties of alkali-activated cement. From the results of drying shrinkage and water penetration tests, the addition of NC and CH only to BFS exhibited poor drying shrinkage and water penetration characteristics. However, these problems may be overcome due to the use of CSA or SRA in the alkali-activated system made with NC or CH.

Effects of biochar-amended alkali-activated slag on the stabilization of coral sand in coastal areas

Coral sand is widely encountered in coastal areas of tropical and subtropical regions.Compared with silica sand,it usually exhibits weaker performance from the perspective of engineering geology.To improve the geomechanical performance of coral sand and meet the requirement of foundation construction in coastal areas,a novel alkali activation-based sustainable binder was developed.The alkaliactivated slag(AAS)binder material was composed of ground granulated blast-furnace slag(GGBS)and hydrated lime with the amendment of biochar,an agricultural waste-derived material.The biocharamended AAS stabilized coral sand was subjected to a series of laboratory tests to determine its mechanical,physicochemical,and microstructural characteristics.Results show that adding a moderate amount of biochar in AAS could improve soil strength,elastic modulus,and water holding capacity by up to 20%,70%,and 30%,respectively.Moreover,the addition of biochar in AAS had a marginal effect on the sulfate resistance of the stabilized sand,especially at high biochar content.However,the resistance of the AAS stabilized sand to wet-dry cycles slightly deteriorated with the addition of biochar.Based on these observations,a conceptual model showing biochar-AAS-sand interactions was proposed,in which biochar served as an internal curing agent,micro-reinforcer,and mechanically weak point.

Mine tailings as a raw material in alkali activation: A review

The mining industry produces billions of tons of mine tailings annually.However,because of their lack of economic value,most of the tailings are discarded near the mining sites,typically under water.The primary environmental concerns of mine tailings are related to their heavy metal and sulfidic mineral content.Oxidation of sulfidic minerals can produce acid mine drainage that leaches heavy metals into the surrounding water.The management of tailing dams requires expensive construction and careful control,and there is the need for stable,sustainable,and economically viable management technologies.Alkali activation as a solidification/stabilization technology offers an attractive way to deal with mine tailings.Alkali activated materials are hardened,concrete-like structures that can be formed from raw materials that are rich in aluminum and silicon,which fortunately,are the main elements in mining residues.Furthermore,alkali activation can immobilize harmful heavy metals within the structure.This review describes the research on alkali activated mine tailings.The reactivity and chemistry of different minerals are discussed.Since many mine tailings are poorly reactive under alkaline conditions,different pretreatment methods and their effects on the mineralogy are reviewed.Possible applications for these materials are also discussed.

Effect of alkali-activation on aluminosilicate-based cementitious materials

High-performance aluminosilicate-based cementitious materials were produced with fly ash from a coal power plant as one of the major raw materials. The structures of fly ash containing aluminosilicate-based cementitious materials were compared before and after treatment by the methods of nuclear magnetic resonance （NMR） and scanning electron microscopy （SEM）. During the 28 d curing time, the compressive strength of water glass and fly ash samples increased from 9.08 MPa to 26.75 MPa. The results show that most of the stiff shells are destroyed after mechanical grinding and chemical activation. Magic angle spinning （MAS） NMR of 27Al shows that the wide peak becomes narrow and the main peak shifts to the direction of low field, indicating the decrease of polymerization degree, the enhancing of activity, the decrease of six-coordination structure, and the increase of small and symmet- rical four-coordination polyhedron structure within the aluminum-oxygen polyhedron network. Comparisons between MAS NMR of 29Si with different treatments suggest that QO disappears, the quantity of Q2 increases, and the quantity of Q4 decreases. The polymerization degree of silicon-oxygen is reduced, and the potential activity of fly ash is increased.

Preliminary Study of Alkali Activation of Basalt: Effect of NaOH Concentration on Geopolymerization of Basalt

The main objective of this study is to examine the possibility of using fresh basalt powder in the preparation of geopolymer pastes. Four NaOH concentrations of 2.5, 5, 7.5 and 10 M were used to alkali activation of basalt. In addition, effect of curing temperature at ambient, 45°C and 65°C were studied. The geopolymer pastes were investigated using FTIR, XRD and SEM-EDS techniques as well as compressive strength up to 90 days. The results were shown the compressive strength of prepared geopolymer increased with concentration of alkali activator up to 90 days. On the other hand, the compressive strength of prepared geopolymer pastes were improved with increased curing temperature. The results showed that there was a change in the chemical and mineral structure, due to the reaction of the sodium hydroxide with the different minerals of the basalt. In addition, the Na/Al and Si/Al ratios were completely different from that of the raw basalt. The geopolymerization reactions occurred at the surface basalt and the unreacted basalt particles actually play a supporting role in the geopolymer properties.

The Influence of Free Water Content on Dielectric Properties of Alkali Active Slag Cement Paste

The dielectric performance of alkali activated slag （AAS） cement paste was investigated in the frequency range of 1 to 1000 MHz. The experimental results showed the unstable dielectric properties of harden paste were mostly influenced by the fraction of free water in paste or absorbed water from ambient, but not including hydration water and microstructure. The free water was completely eliminated by heat treatment at 105 ℃ about 4 hours, and then its dielectric loss was depressed; but with the exposure time in air increasing, the free water adsorption in ambient air made the dielectric property of harden cement paste to be bad. The temperature and relative humidity of environment was the key factors of free water adsorption; hence, if the influence of free water on dielectric constant was measured or eliminated, the cement-based materials may be applied in humidity sensitive materials or dielectric materials domains.

Characteristics of activated carbon prepared from Chinese fir sawdust by zinc chloride activation under vacuum condition

The preparation of activated carbon from Chinese fir sawdust by zinc chloride activation under both nitrogen atmosphere and vacuum conditions was carded out in a self-manufactured vacuum pyrolysis reactor. The effects of the system pressure and the activation condition （nitrogen or vacuum） on pore development were investigated. The results show that both high quality activated carbon and high added-value bio-oil can be obtained simultaneously via vacuum chemical activation. The characteristics of the activated carbons produced under vacuum conditions are better than those prepared under nitrogen atmosphere. The performance parameters of the activated carbon obtained under vacuum conditions are as follows： the pore size distribution is mainly microporous, the Brunauer-Emmett-Teller （BET） surface area is 1 070.59 m^2/g, the microporous volume is 0.502 4 cm^3/g, the average pore size is 2.085 nm, and the iodine adsorption value and the methylene blue adsorption value are 1 142.92 and 131.34 mg/g, respectively. The activated carbon from vacuum chemical activation has developed micropores, and the N2 adsorption equilibrium constant of the corresponding activated carbon gradually increases with the decrease of reaction system pressure.

Influence of alkali metal doping on surface properties and catalytic activity/selectivity of CaO catalysts in oxidative coupling of methane

Surface properties （viz. surface area, basicity/base strength distribution, and crystal phases） of alkali metal doped CaO （alkali metal/Ca= 0.1 and 0.4） catalysts and their catalytic activity/selectivity in oxidative coupling of methane （OCM） to higher hydrocarbons at different reaction conditions （viz. temperature, 700 and 750 ℃; CH4/O2 ratio, 4.0 and 8.0 and space velocity, 5140-20550 cm^3 ·g^-1·h^-1） have been investigated. The influence of catalyst calcination temperature on the activity/selectivity has also been investigated. The surface properties （viz. surface area, basicity/base strength distribution） and catalytic activity/selectivity of the alkali metal doped CaO catalysts are strongly influenced by the alkali metal promoter and its concentration in the alkali metal doped CaO catalysts. An addition of alkali metal promoter to CaO results in a large decrease in the surface area but a large increase in the surface basicity （strong basic sites） and the C2＋ selectivity and yield of the catalysts in the OCM process. The activity and selectivity are strongly influenced by the catalyst calcination temperature. No direct relationship between surface basicity and catalytic activity/selectivity has been observed. Among the alkali metal doped CaO catalysts, Na-CaO （Na/Ca = 0.1, before calcination） catalyst （calcined at 750 ℃）, showed best performance （C2＋ selectivity of 68.8% with 24.7% methane conversion）, whereas the poorest performance was shown by the Rb-CaO catalyst in the OCM process.

Morphology Difference between the Alkali Activated Cement and Portland Cement Paste on Multi-scale

The features of alkali activated slag（AAS） and portland cement （PC） were observed on multi-scale,the crack and fracture sections were observed with naked eyes,and SEM and AFM were used to study the structure morphology differences between PC and AAS on micrometer to nano meter scale.The experimental results indicated that the AAS paste had soil like fracture texture and it was composed of mainly C-S-H gel but lacks of crystals,and it had a very strong tendency to shrink and crack.AAS paste is much denser and more homogeneous than PC,and on the nano scale C-S-H nano particle in the AAS paste is much smaller and packs much denser than PC paste.

Setting and Strength Characteristics of Alkali-activated Carbonatite Cementitious Materials with Ground Slag Replacement

The effect of the ground granulated blast-furnace slag （ GGBFS ） addition, the modulus n （ mole rutio of SiO2 to Na2O ） and the concentrution of sodium silicate solution on the compressive strength of the material, i e alkuli-activated carbonatite cemeutitious material （ AACCM for short ） was investiguted. In addition, it is found that barium chloride has a sutisfiwtory retarding effect on the setting of AACCM in which more than 20% （ by mass ） ground carbonatite was replaced by GGBFS. As a result, a cementitious material, in which ground carbonatite rock served as dominative starting material, with 3-day and 28-day compressive strength greuter them 30 MPa and 60 MPa and with continuous strength gain beyond 90 days was obtained.

Magnesia Modification of Alkali-Activated Slag Fly Ash Cement

A new type of magnesia modification alkali-activated cement was prepared, the strength, setting time, shrinkage ratio and cracking behavior, as well as the composition and structure of the hydration product were investigated. The results indicate that the setting time of this cement is similar to that of the ordinary commercial cements; its strength reaches the standard of 42.5 degree cement, its cracking resistance has been remarkably improved because of the micro-aggregate effect of fly ash and shrinkage compensating of magnesia.

Mechanical Property and Microstructure of Alkali-activated Yellow River Sediment-Coal Slime Ash Composites

This work focuses on the production of a new composite material using Yellow River sediment and coal slime ash via alkali-activating method. XRD, FTIR and SEM/EDS were used to characterize the alkali-activated products and microstructure of the composite material. Compressive strength was tested to characterize the mechanical property of the composite material. It is found that the compressive strength of the Yellow River sediment-coal slime ash composites increases as the added Ca（OH）_2 content grows. The compressive strength increases fast in the early stage but slowly after 28 days. The strength of the composites can be significantly improved via the addition of small amount of Na OH and gypsum. The products（C-S-H, ettringite and CaCO_3）, especially C-S-H, make much contribution to the enhancement of strength. The highest strength of the composites can reach 14.4 MPa after 90 days curing with 5% Ca（OH）_2, 0.2% NaOH and 7.5% gypsum. The improved properties of the composites show great potential of utilizing Yellow River sediment for inexpensive construction materials.

The Effect of Elevated Temperature on Bond Performance of Alkali-activated GGBFS Paste

The main reaction products were investigated by analysis of microstructure of alkali-activated ground granulated blast furnace slag （GGBFS） paste. An experimental research was performed on bond performance of alkali-activated GGBFS paste as a construction adhesive after exposure to 20-500℃. Through XRD analysis, a few calcium silicate hydrate, hydrotalcite and tetracalcium aluminate hydrate were determined as end products, and they were filled and packed each other at room temperature. In addition, akermanite dramatically increased at 800 ~C and above. The two key parameters, the ultimate load Pu.T and effective bond length Le, were determined using test data of carbon fiber-reinforced polymer （CFRP）-to-concrete bonded joints at elevated temperature. The experimental results indicate that the ultimate load Pu.T remains relatively stable initially and then decreases with increasing temperature. The effective bond length Le increases with increasing temperature except at 300℃. The proposed temperature-dependent effective bond length formula is shown to closely represent the test data.

Effect of magnesia on properties and microstructure of alkali-activated slag cement

The effect of magnesia bumt at 800-950℃ on the properties, especially the shrinkage, of alkali-activated slag cement （AASC.） was experimentally studied. Experimental results show that, although adding 4%-8% lightly-burnt magnesia may shorten the setting time and slightly reduce the compressive strength of AASC, it c, an remarkably reduce the shrinkage of AASC. The results also show that the setting time of AASC with a certain amount of magnesia increases with the buming temperature, and that the flexural and compressive strengths of AASC decrease with the increase of the additive amount of magnesia. Generally, the adverse effect of magnesia decreases with the increase of the burning temperature：, and the shrinkage-reducing effect of magnesia increases with the additive amount of magnesia. X-ray diffraction （XRD） and scanning electron microscopy （SEM） analyses show that some magnesia particles in the hardened AASC paste at a 28-d age remained unhydrated, and that the compactness decreased a little as magnesia was added. We can also conclude that magnesia bumt at 850-950℃ can be used to reduce the shrinkage of AASC only when its additive amount does not exceed 8%; otherwise, the setting time may be too short, and the flexural and compressive strengths may severely decrease.

Investigation on the Thermo-dynamics of Alkali-activated Carbonatite

The thermo-dynamics of reactions between carbonatite and sodium silicate solution at ordinary temperature （25℃） were investigated. The calculated results indicate that at ordinary temperature, the reactions between dolomite, calcite, Ca2＋ and Mg2＋ in carbonatite and H4SiO4, tl3SiO4- and H2SiO42- in sodium silicate solution to form the cementitious products of hydrated calcium silicate or hydrated magnesium silicate all possibly happen; among these reactions, the reactions to form gyrolite （2CaO.3SiO2.2.5H2O） and serpentine （3MgO.2SiO2-2H20） are the most possible to occur. Further, the dissociation degree of dolomite and calcite and the activity of H3SiO4 , H2SiO42- and H4SiO4 ions are the key factors to influence the reactions.

Pitting corrosion resistance of a novel duplex alloy steel in alkali-activated slag extract in the presence of chloride ions

In this study, two types of reinforcing steels(conventional low-carbon steel and a novel duplex alloy steel with Cr and Mo) were exposed to chloride-contaminated extract solutions(ordinary Portland cement(OPC) extract and alkali-activated slag(AAS) extract) to investigate their pitting corrosion resistance. The results confirm that the pitting corrosion resistance of the alloy steel is much higher than that of the low-carbon steel in both extract solutions with various Na Cl concentrations. Moreover, for each type of steel, the AAS extract contributes to a higher pitting corrosion resistance compared with the OPC extract in the presence of chloride ions, likely because of the formation of flocculent precipitates on the steel surface.

THE INFLUENCE OF TEMPERATURE AND ADMIXTURES ON ACTIVATION OF LOW CALCIUM FLY ASH

According to composition and structure properties of low calcium fly ash, the activation and reaction degree of fly ash-lime and fly ash-lime-gypsum system were studied in different alkali surroundings and temperatures by thermal-gravity analysis. The degree of reaction and pore structure analysis test results show that composite alkali play an important role in the activation and degree of reaction of fly ash at I-oem temperature. But when increasing curing temperature, gypsum would play an important role in activation and hydration of fly ash.

Effects of salt-alkali stress on active oxygen metabolism in roots of Spiraea × bumalda 'Gold Mound' and Spiraea × bumalda 'Gold Flame'

Under artificially-simulated complex salt-alkali stress, the levels of active oxygen metabolism in roots were studied using three-year-old cutting seedlings of Spiraea × bumalda ‘Gold Mound＇ and Spiraea × bumalda ‘Gold Flame＇. The present study aimed at exploring the antioxidant capacity in roots of spiraeas and revealing their adaptability to salt-alkali stress. Results indicate that the oxygen free radicals contents, electrolyte leakage rates and MDA contents in roots of Spiraea × bumalda ＇Gold Mound＇ and Spiraea × bumalda ＇Gold Flame＇ show an increasing tendency with the increases of the salinity and pH value, whereas the activities of superoxide dismutase （SOD）, peroxidase （POD） and catalase （CAT） all increased firstly and then decreased. With the increase in intensity of salt-alkali stress, the CAT activity in roots of Spiraea × bumalda ‘Gold Flame＇ is higher and the increasing extents in the oxygen free radicals contents, electrolyte leakage rates as well as MDA contents are lower compared with Spiraea × bumalda ‘Gold Mound＇, indicating that Spiraea × bumalda ‘Gold Flame＇ has a stronger antioxidant capacity.

Tests on Alkali-Activated Slag Foamed Concrete with Various Water-Binder Ratios and Substitution Levels of Fly Ash

To provide basic data for the reasonable mixing design of the alkali-activated (AA) foamed concrete as a thermal insulation material for a floor heating system, 9 concrete mixes with a targeted dry density less than 400 kg/m3 were tested. Ground granulated blast-furnace slag (GGBS) as a source material was activated by the following two types of alkali activators: 10% Ca(OH)2 and 4% Mg(NO3)2, and 2.5% Ca(OH)2 and 6.5% Na2SiO3. The main test parameters were water-to-binder (W/B) ratio and the substitution level (RFA) of fly ash (FA) for GGBS. Test results revealed that the dry density of AA GGBS foamed concrete was independent of the W/B ratio an RFA, whereas the compressive strength increased with the decrease in W/B ratio and with the increase in RFA up to 15%, beyond which it decreased. With the increase in the W/B ratio, the amount of macro capillaries and artificial air pores increased, which resulted in the decrease of compressive strength. The magnitude of the environmental loads of the AA GGBS foamed concrete is independent of the W/B ratio and RFA. The largest reduction percentage was found in the photochemical oxidation potential, being more than 99%. The reduction percentage was 87% - 93% for the global warming potential, 81% - 84% for abiotic depletion, 79% - 84% for acidification potential, 77% - 85% for eutrophication potential, and 73% - 83% for human toxicity potential. Ultimately, this study proved that the developed AA GGBS foamed concrete has a considerable promise as a sustainable construction material for nonstructural element.