Study on Multi-Scale Tensile Strength and Tensile Strain of Calcium Silicate Hydrate Layered Nanocomposites Under External Physical Field

Calcium silicate hydrate(C-S-H)is the mainly strength source of cement-based materials,but there is little basic research.In this paper,molecular dynamics method is applied to analyze the multi-scale tensile strength and tensile strain of C-S-H layered materials under the condition of external physical fields(temperature and strain rate).The results show that the tensile strength and strain of C-S-H model decrease with temperature raises.The temperature(from 1 K to 600 K)has obvious influence on the tensile strain and strength of C-S-H layered materials.In addition,at(0.00025 ps^(-1)-0.001 ps^(-1)),the tensile strain and strength of C-S-H layered materials are less sensitive to strain rate.The whole model is closer to a 3-dimensional deformation.However,at(0.001 ps^(-1)-0.005 ps^(-1)),the dynamic load effect begins to increase,and the work done by the load per unit time increased.The tensile strain and strength of C-S-H layered materials indicates intensified by the change of strain rate.The energies are randomly distributed in the system,not concentrated in a certain area.

Effect of C/S Ratio on Morphology and Structure of Hydrothermally Synthesized Calcium Silicate Hydrate

The samples of the C-S-H series were synthesized by hydrothermal reaction of fumed silica, CaO and deionized water at initial C/S ratios between 1.0-1.7. Phase composition and structural and morphology characteristics of C-S-H samples were analyzed by XRD, IR and SEM. The experimental results showed that the d-spacing of （002）, （110） and （020） decreased, the d-spacing of （200） increased, and the d-spacing of （310） varied randomly, the polymerization of silica tetrahedra of C-S-H decreased, and morphology of C-S-H samples varied from sheet shapes to long reticular fibers as C/S ratio increased.

Hydrothermal synthesis of zeolites-calcium silicate hydrate composite from coal fly ash with co-activation of Ca(OH)_(2)-NaOH for aqueous heavy metals removal

Coal fly ash is a typical secondary aluminum/silicon resource.The preparation of zeolite-type absorbent is a potential way for its value-added utilization,while the purity and adsorption property of zeolite are limited due to the occurrence of side reactions in the synthesis process.In this study,a designated composite consisted of crystalline zeolites and amorphous calcium silicate hydrate was selected,which was direct synthesized from fly ash under conditions of a Ca/Si molar ratio of 0.8,an initial NaOH concentration of 0.5 mol/L,a hydrothermal temperature of 170℃and a liquid–solid ratio of 15 mL/g.The results indicated that this composite had superior adsorption property for a variety of heavy metals,which was based on the exchange of calcium and sodium ions in zeolites and calcium silicate hydrate.Its adsorption capacities for Pb^(2+),Ni^(2+),Cd^(2+),Zn^(2+),Cu^(2+)and Cr^(3+)attained 409.4,222.4,147.5,93.2,101.1 and 157.0 mg/g,respectively,in single solution with a pH of 4.5.After regulating the synthesis conditions,the transformation of amorphous calcium silicate hydrate into crystallized tobermorite weakened the adsorption capacity of the composite.Besides,due to the competitive adsorption in a multiple ions solution,the adsorption capacities for these heavy metals had a reduction.

Effect of Calcium Silicate Hydrate Seeds on Hydration and Mechanical Properties of Cement

C-S-H series are synthesized at different temperatures and ages by pozzolanic reaction.The change of particle size distribution,phase composition,morphology and nanostructure of C-S-H with temperatures and ages,and the effects of C-S-H seeds and seeds parameters on the hydration behavior and mechanical properties development of cement were investigated by DLS,XRD,SEM,^(29)Si NMR,TAM-air isothermal calorimeter and mechanical properties test.The results show that the particle size,crystallinity,basal spacing and Q^(2)/Q^(1) ratio of C-S-H increases with the increase of synthesis temperature and age.The addition of synthesized C-S-H seeds to cement pastes results in the strong acceleration effect on cement hydration and significant improvement of the early strength of cement paste and mortar.The 1 day-C-S-H seeds synthesized at room temperature can increase the strength of cement paste by about 30 MPa at 12 h.The effect does not show a very regular change with the increase of the temperature and age of seeds synthesis.Considering the effect of C-S-H seeds on the hydration and mechanical properties of cement,and economy and short cycle of seeds synthesis,the C-S-H seeds synthesized at room temperature for 1 day or 55 ℃ water bath for 12 hours is recommended..

A molecular dynamics study of calcium silicate hydrates-aggregate interfacial interactions and influence of moisture

The interface properties between hydrated cement paste(hcp)and aggregates largely determine the various performances of concrete.In this work,molecular dynamics simulations were employed to explore the atomistic interaction mechanisms between the commonly used aggregate phase calcite/silica and calcium silicate hydrates(C-S-H),as well as the effect of moisture.The results suggest that the C-S-H/calcite interface is relatively strong and stable under both dry and moist conditions,which is caused by the high-strength interfacial connections formed between calcium ions from calcite and high-polarity non-bridging oxygen atoms from the C-S-H surface.Silica can be also adsorbed on the dry C-S-H surface by the H-bonds;however,the presence of water molecules on the interface may substantially decrease the affinities.Furthermore,the dynamics interface separation tests of C-S-H/aggregates were also implemented by molecular dynamics.The shape of the calculated stress-separation distance curves obeys the quasi-static cohesive law obtained experimentally.The moisture conditions and strain rates were found to affect the separation process of C-S-H/silica.A wetter interface and smaller loading rate may lead to a lower adhesion strength.The mechanisms interpreted here may shed new lights on the understandings of hcp/aggregate interactions at a nano-length scale and creation of high performance cementitious materials.

Preparation of MnO_2 and calcium silicate hydrate from electrolytic manganese residue and evaluation of adsorption properties

Electrolytic manganese residue(EMR), a high volume byproduct resulting from the electrolytic manganese industry, was used as a cheap and abundant chemical source for preparing MnO2 and EMR-made calcium silicate hydrate(EMR-CSH). The MnO2 is successfully synthesized from the metal cations extracted from EMR, which can effectively recycle the manganese in the EMR. By the combination of XRD, SEM and EDX analysis, the as-prepared MnO2 is found to exhibit a single-phase with the purity of 90.3%. Furthermore, EMR-CSH is synthesized from EMR via hydrothermal method. Based on the detailed analyses using XRD, FT-IR, FE-SEM, EDX and BET surface area measurement, the product synthesized under the optimum conditions(p H 12.0 and 100 °C) is identified to be a calcium silicate hydrate with a specific surface area of 205 m2/g incorporating the slag-derived metals(Al and Mg) in its structure. The as-synthesized material shows good adsorption properties for removal of Mn2+ and phosphate ions diluted in water, making it a promising candidate for efficient bulk wastewater treatment. This conversion process, which enables us to fabricate two different kinds of valuable materials from EMR at low cost and through convenient preparation steps, is surely beneficial from the viewpoint of the chemical and economical use of EMR.

Heterogeneous Nature of Calcium Silicate Hydrate(C-S-H) Gel:A Molecular Dynamics Study

Structure and mechanical properties of Calcium silicate hydrate (C-S-H) at a molecular level act as "DNA" of cement-based construction materials.In order to understand loading resistance capability of C-S-H gel,research on molecular dynamics (MD) was carried out to simulate the uniaxial tension test on C-S-H model along x,y,and z directions.Due to the structure and dynamic differences of the layered structure,the C-S-H model demonstrates heterogeneous mechanical behavior.On an XY plane,the cohesive force can reach 4 GPa,which is mainly provided by the Ca-O and Si-O ionic-covalent bonds.The good plasticity of calcium silicate sheet is attributed to the silicate branch structure formation and the recovery role of interlayer calcium atoms.However,in z direction,C-S-H layers connected by the unstable H-bonds network,have the weakest tensile strength 2.2 GPa.This results in the brittle failure mode in z direction.The relatively low tensile strength and poor plasticity in z direction provides molecular insights into the tensile weakness of cement materials at macro-level.

Synthesis of Calcium Silicate Hydrate based on Steel Slag with Various Alkalinities

This study aimed to improve the hydraulic potential properties of the slag. Therefore, a method of dynamic hydrothermal synthesis was applied to synthesize calcium silicate hydrate. The phases and nanostructures were characterized by XRD, FTIR, TEM, and BET nitrogen adsorption. The infl uence of alkalinity of steel slag on its structures and properties was discussed. The experimental results show that, the main product is amorphous calcium silicate hydrate gel with fl occulent or fi brous pattern with a BET specifi c surface area up to 77 m2/g and pore volume of 0.34 mL/g. Compared with low alkalinity steel slag, calcium silicate hydrate synthesized from higher alkalinity steel slag is prone to transform to tobermorite structure.

Influence of Hydrothermal Synthesis Conditions on the Formation of Calcium Silicate Hydrates:from Amorphous to Crystalline Phases

Hydrothermal treatment has been widely applied in the synthesis of well crystalline calcium silicate hydrate（CSH）, such as tobermorite and xonotlite. However, both morphology and crystallinity of CSH are greatly affected by the conditions of hydrothermal treatment including siliceous materials, temperature increase rate and isothermal periods. In this study, the influence of hydrothermal conditions on the growth of nano-crystalline CSH was investigated based on XRD analysis. Results showed that siliceous materials with amorphous nature（i e, nano silica powder） are beneficial to synthesize pure amorphous CSH, while the use of more crystallized siliceous materials（i e, diatomite and quartz powder） leads to producing crystalline CSH. Results also indicate that the formation of tobermorite and xonotlite is greatly affected by the temperature rise rate during hydrothermal treatment.

Stress relaxation properties of calcium silicate hydrate:a molecular dynamics study

The time-dependent viscoelastic response of cement-based materials to applied deformation is far from fully understood at the atomic level.Calcium silicate hydrate(C-S-H),the main hydration product of Portland cement,is responsible for the viscoelastic mechanism of cement-based materials.In this study,a molecular model of C-S-H was developed to explain the stress relaxation characteristics of C-S-H at different initial deformation states,Ca/Si ratios,temperatures,and water contents,which cannot be accessed experimentally.The stress relaxation of C-S-H occurs regardless of whether it is subjected to initial shear,tensile,or compressive deformation,and shows a heterogeneous characteristic.Water plays a crucial role in the stress relaxation process.A large Ca/Si ratio and high temperature reduce the cohesion between the calcium-silicate layer and the interlayer region,and the viscosity of the interlayer region,thereby accelerating the stress relaxation of C-S-H.The effect of the hydrogen bond network and the morphology of C-S-H on the evolution of the stress relaxation characteristics of C-S-H at different water contents was elucidated by nonaffine mean squared displacement.Our results shed light on the stress relaxation characteristics of C-S-H from a microscopic perspective,bridging the gap between the microscopic phenomena and the underlying atomic-level mechanisms.

Structure, Formation, Properties, and Application of Calcium and Magnesium Silicate Hydrates System—A Review

In order to expand the advantages of strong durability and high compressive strength of calcium silicate hydrates(C-S-H),at the same time to make up for the poor early mechanical strength of magnesium silicate hydrates (M-S-H),we present the features and advantages of C-S-H and M-S-H and a comprehensive review of the progress on CaO-MgO-SiO_(2)-H_(2)O.Moreover,we systematically describe natural calcium and magnesium silicate minerals and thermodynamic properties of CaO-MgO-SiO_(2)-H_(2)O.The effect of magnesium on C-S-H and calcium on M-S-H is summarized deeply;the formation and structural feature of CaO-MgO-SiO_(2)-H_(2)O is also explained in detail.Finally,the development of calcium and magnesium silicate hydrates in the future is pointed out,and the further research is discussed and estimated.

Unsaturated transport properties of water molecules and ions in graphene oxide/hydrated calcium silicate nanochannels:from basic principles to complex environmental performance effects

The problems of traditional concrete such as brittleness,poor toughness and short service life of concrete engineering under acid rain or marine environment need to be solved urgently.Hydrated calcium silicate(C-S-H)is a key component to improve the mechanical properties and durability of concrete.However,the traditional method of concrete material design based on empirical models or comparative tests has become a bottleneck restricting the sustainable development of concrete.The synthesis method,molecular structure and properties of C-S-H were systematically described in this paper;The interface structure and interaction of graphene oxide/calcium silicate hydrate(C-S-H/GO)were discussed.On this basis,the saturated and unsaturated transport characteristics of ions and water molecules in C-S-H/GO nanochannels under the environment of ocean and acid rain were introduced.The contents of this review provide the basis for improving the multi-scale transmission theory and microstructure design of concrete.It has important guiding significance for analyzing and improving the service life of concrete in complex environment.

Fractionation and solubility of cadmium in paddy soils amended with porous hydrated calcium silicate

Previous studies have shown that porous hydrated calcium silicate （PS） is very effective in decreasing cadmium （Cd） content in brown rice. However, it is unclear whether the PS influences cadmium transformation in soil. The present study examined the effect of PS on pH, cadmium transformation and cadmium solubility in Andosol and Alluvial soil, and also compared its effects with CaCO3, acidic porous hydrated calcium silicate （APS） and silica gel. Soil cadmium was operationally fractionationed into exchangeable （Exch）, bound to carbonates （Carb）, bound to iron and manganese oxides （FeMnOx）, bound to organic matters （OM） and residual （Res） fraction. Application of PS and CaCO3 at hig rates enhanced soil pH, while APS and silica gel did not obviously change soil pH. PS and CaCO3 also increased the FeMnOx-Cd in Andosol and Carb-Cd in Alluvial soil, thus reducing the Exch-Cd in the tested soils. However, PS was less effective than CaCO3 at the same application rate. Cadmium fractions in the two soils were not changed by the treatments of APS and silica gel. There were no obvious differences in the solubility of cadmium in soils treated with PS, APS, silica gel and CaCO3 except Andosol treated 2.0% CaCO3 at the same pH of soil-CaC12 suspensions. These findings suggested that the decrease of cadmium availability in soil was mainly attributed to the increase of soil pH caused by PS.

Geotechnical investigation of low-plasticity organic soil treated with nano-calcium carbonate

Soil stabilization using nanomaterials is an emerging research area although,to date,its investigation has mostly been laboratory-based and therefore requires extensive study for transfer to practical field ap-plications.The present study advocates nano-calcium carbonate(NCC)material,a relatively unexplored nanomaterial additive,for stabilization of low-plasticity fine-grained soil having moderate organic content.The plasticity index,compaction,unconfined compressive strength(UCS),compressibility and permeability characteristics of the 0.2%,0.4%,0.6%and 0.8%NCC-treated soil,and untreated soil(as control),were determined,including investigations of the effect of up to 90-d curing on the UCS and permeability properties.In terms of UCS improvement,0.4%NCC addition was identified as the optimum dosage,mobilizing a UCS at 90-d curing of almost twice that for the untreated soil.For treated soil,particle aggregation arising from NCC addition initially produced an increase in the permeability coef-ficient,but its magnitude decreased for increased curing owing to calcium silicate hydrate(CSH)gel formation,although still remaining higher compared to the untreated soil for all dosages and curing periods investigated.Compression index decreased for all NCC-treated soil investigated.SEM micro-graphs indicated the presence of gel patches along with particle aggregation.X-ray diffraction(XRD)results showed the presence of hydration products,such as CSH.Significant increases in UCS are initially attributed to void filling and then because of CSH gel formation with increased curing.

Expansive Soil Stabilization by Bagasse Ash in Partial Replacement of Cement

This study examined the effects of using bagasse ash in replacement of ordinary Portland cement(OPC)in the treatment of expansive soils.The study concentrated on the compaction characteristics,volume change,compressive strength,splitting tensile strength,microstructure,California bearing ratio(CBR)value,and shear wave velocity of expansive soils treated with cement.Different bagasse ash replacement ratios were used to create soil samples.At varying curing times of 7,14,and 28 days,standard compaction tests,unconfined compressive strength tests,CBR tests,Brazilian split tensile testing,and bender element(BE)tests were carried out.According to X-ray diffraction(XRD)investigations,quartz and crystobalite make up the majority of the minerals in bagasse ash.Bagasse ash contains a variety of grain sizes,including numerous fiber-shaped particles,according to a scanning electronic microscope(SEM)test.For all of the treated specimens with various replacement ratios,the overall additive content has not changed.The results of the Brazilian split tensile tests demonstrate improved tensile strength for all specimens with various replacement proportions.A lower maximum dry density and a greater optimal water content would result from the substitution of bagasse ash.When the replacement ratio is not more than 20%,the CBR values of the parts replaced specimens are even higher than the cement treatments.The results of BE testing on the treated soils show that there is significant stiffness anisotropy but that it steadily diminishes with curing time and replacement ratio.According to the study,bagasse ash is a useful mineral additive,and the best replacement ratio(CBA20)is 20%.

Hydration Products of Cement-silica Fume-quartz Powder Mixture under Different Curing Regimes

Composition, morphology, and structure of hydration products in hardened pastes of three kinds of blended cement（cement-silica fume, cement-quartz powder and cement-silica fume-quartz powder） hydrated under different curing regimes（standard curing, 90 ℃ steam curing, 200 ℃ and 250 ℃ autoclave curing） were investigated by X-ray diffraction and field emission scanning electron microscope equipped with EDAX system. Results showed that the main hydration products in three kinds of hardened pastes under standard curing condition are all C-S-H gels, CH, and AFt. Under 90 ℃ steam curing condition, the main hydration products of cement-silica fume and cement-silica fume-quartz powder are C-S-H gels, whereas those of cement-quartz powder are C-S-H and CH. Under 200 or 250 ℃ autoclave curing condition, no obvious crystallized CH phase is found in hardened pastes of three kinds of blended cement, and C-S-H gels are transformed into one or more crystalline phases such as tobermorite, jennite, and xonotlite. The chemical composition and morphology of these crystalline phases depend on the composition of mixture and autoclave temperature.

Effect of Al^(3+) on Tobermorite Crystallinity

The difference between the systems of CaO-SiO2,-H2O and CaO-SiO2-Al(OH)3,-H2O, was studied, especially the effect of Al3+on the crystallinity of tobermorite was focussed. As a result, in the system of CaO-SiO2-H2O, tobermorite formed early, however, withreaction time forward, tobermorite was replaced by xonotlite. So far as CaO-SiO2-Al(OH)3,-H2O was concemed, hydrothermal reactionwas cdried out under the same condition as CaO-SiO2-H2O to study the morphological changes of tobermorite crystals. It was found thatAl3+ accelefated the crystal growth of tobermorite to some extent and was in faVor ofplaty crystals. Moreovef, with the Al3+ content in-creasing in the starting material, the morphology of tobermorite did not change magnificently, but platy crystals became more and moreeminent. As soon as the Al2O3 content was over 15.6%, synthetic mineral greatly changed in smicthe and haled into hibschite differentfrom 1 .1 nm tobermorite. Obviously, xonotlite was not apt to form in the presence of Al3+.

Reactivity of Recycled Glass Powder in a Cementitious Medium

The reactivity of the recycled glass powder (GP) in a cementitious medium has been studied over time by means of X-ray diffraction and thermal gravimetric analysis. Two different mixtures based on cement/glass powder (0 or 20 wt% GP) and lime/glass powder (70 wt% GP) were considered. Analysis revealed the coexistence of both hydration and pozzolanic reaction during the hardening of the mortars. At young age, the cement hydration would prevail over the pozzolanic one resulting in a decrease of physico-chemical and mechanical properties of the material due to the dilution effect. The pozzolanic reaction that predominates from 91 days, would induce the formation of supplementary C-S-H leading to improve the material properties.

A Method for Semi-quantitative Analysis of C-S-H Gel in a Blended Cement Paste

An amended method for accurate measuring the quantity of calcium silicate hydrate(C-S-H) in pure cement paste and blended cement paste by water adsorption was made, which based on R.A.Olson’s method. Two improvements to this method, such as using C-S-H gel by hydro-thermal synthesis as standard sample and the stoichiometry of C-S-H gel is partitioned based on hydration time and the amount of mineral admixture. The result of C-S-H gel content in pure cement paste and blended cement paste is higher than by R.A.Olson’s method.