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At least 1,063 records · Page 59
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Thermodynamic Model of COREX Melter Gasifier Using FactSage™ and Macro Facility

In the current study, the thermochemical model of the COREX melter gasifier has been developed using the FactSage™ thermodynamic software, and macro programming facility. The melter gasifier was conceptually divided into various equilibrium zones dealing with the reactions happening in the reactor. The coal char and the coke being used are divided among them optimally. The model has been validated with respect to the plant data for the hot-metal, slag, and reducing gas composition. The effects of the variation in the degree of metallization, on the final hot metal, slag, and reducing gas, have been predicted using this model. The variations in the process parameters for the different industrial coal grades used in the COREX plant have been determined. The effects of the volatile, ash, and the moisture contents of the coal on the hot-metal and the reducing gas compositions have been reported.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Carbonaceous Material Properties and Their Interactions with Slag During Electric Arc Furnace Steelmaking

The state of the interface between slag and carbon determines the slag foaming behavior and thus the effectiveness of carbon in electric arc furnace (EAF) steelmaking. This paper explores the interaction between synthetic slag and carbonaceous materials derived from various sources, including bio-char produced by two different technologies, graphite, coke, and char from tire pyrolysis. Different interfacial phenomena were found between slag and the carbonaceous materials examined. The interactions between bio-char and slag are found to be poor in comparison with other carbonaceous materials. Carbonaceous materials were characterized in terms of their chemical composition and the results obtained suggested that interfacial phenomena were not dominated by ash in the carbonaceous material. The effects of carbon crystalline structure on interaction with slag were evaluated by Raman spectroscopy and X-ray diffraction. Surface properties of the samples were evaluated using scanning electron microscopy, and surface morphology was identified as the principal factor affecting the interaction of slag on carbonaceous particles. The smooth surface of bio-char results in reduced slag foaming. This finding forms the basis for future research on the production of bio-char to be used as a slag foaming agent in EAF steelmaking.

36 MATERIALS SCIENCE↗
DOE OSTI2019

An Investigation of Carburization Behavior of Molten Iron for the Flash Ironmaking Process

In order to recognize the dripping and the carburizing behaviors of the molten iron within the coke packed bed in the flash ironmaking process, a transient three-dimensional numerical model was developed. The volume of fluid (VOF) approach is used to describe the movement of the molten iron and the argon gas. The porous medium module is employed to define the momentum, heat, and mass transfer between the coke packed bed and the molten iron. Moreover, a factor is introduced to consider the influence of the ash film on the carburization process. A reasonable agreement between the experiment and simulation is obtained. The results indicate that the molten iron flows downward from the upper crucible to middle crucible. After entering the middle crucible, the molten iron spreads around within the coke packed bed and simultaneously moves downward. The carbon is, therefore, transferred from the coke to the molten iron. With the 47-mm-height coke packed bed, the carbon content in the molten iron after the carburization decreases from 3.19 to 1.97 pct, while the coke diameter ranges from 2 to 5 mm. With the 2-mm-diameter coke, the carbon content in the molten iron after the carburization increases from 2.84 to 4.81 pct, while the coke packed bed height increases from 37 to 97 mm.

36 MATERIALS SCIENCE↗
DOE OSTI2012

Alkaline solution/binder ratio as a determining factor in the alkaline activation of aluminosilicates

This study investigates the effect of the alkaline solution/binder (S/B) ratio on the composition and nanostructure of the reaction products generated in the alkaline activation of aluminosilicates. The experiments used two mixtures of fly ash and dehydroxylated white clay and for each of these, varying proportions of the solution components. The alkali activator was an 8 M NaOH solution (with and without sodium silicate) used at three S/B ratios: 0.50, 0.75 and 1.25. The {sup 29}Si, {sup 27}Al MAS NMR and XRD characterisation of the reaction products reveal that for ratios nearest the value delivering suitable paste workability, the reaction-product composition and structure depend primarily on the nature and composition of the starting materials and the alkaline activator used. However, when an excess alkaline activator is present in the system, the reaction products tend to exhibit SiO{sub 2}/Al{sub 2}O{sub 3} ratios of approximately 1, irrespective of the composition of the starting binder or the alkaline activator.

36 MATERIALS SCIENCE↗
DOE OSTI2013

The use of electrical impedance spectroscopy for monitoring the hydration products of Portland cement mortars with high percentage of pozzolans

In this paper, mortars and pastes containing large replacement of pozzolan were studied by mechanical strength, thermogravimetric analysis (TGA), scanning electronic microscopy (SEM), mercury intrusion porosimetry (MIP) and electrical impedance spectroscopy (EIS). The effect of metakaolin (35%) and fly ash (60%) was evaluated and compared with an inert mineral addition (andalusite). The portlandite content was measured, finding that the pozzolanic reaction produced cementing systems with all portlandite fixed. The EIS measurements were analyzed by the equivalent electrical circuit (EEC) method. An EEC with three branches in parallel was applied. The dc resistance was related to the degree of hydration and allowed us to characterize plain and blended mortars. A constant phase element (CPE) quantified the electrical properties of the hydration products located in the solid–solution interface and was useful to distinguish the role of inert and pozzolanic admixtures present in the cement matrix.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Nano-modification to improve the ductility of cementitious composites

Effect of nano-sized mineral additions on ductility of engineered cementitious composites (ECC) containing high volumes of fly ash was investigated at different hydration degrees. Various properties of ECC mixtures with different mineral additions were compared in terms of microstructural properties of matrix, fiber-matrix interface, and fiber surface to assess improvements in ductility. Microstructural characterization was made by measuring pore size distributions through mercury intrusion porosimetry (MIP). Hydration characteristics were assessed using thermogravimetric analysis/differential thermal analysis (TGA/DTA), and fiber-matrix interface and fiber surface characteristics were assessed using scanning electron microscopy (SEM) through a period of 90 days. Moreover, compressive and flexural strength developments were monitored for the same period. Test results confirmed that mineral additions could significantly improve both flexural strength and ductility of ECC, especially at early ages. Cheaper Nano-CaCO{sub 3} was more effective compared to nano-silica. However, the crystal structure of CaCO{sub 3} played a very important role in the range of expected improvements.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Phase assemblage of composite cements

The phase assemblage of binary Portland cements with 45 wt% replacement by calcareous fly ash and slag has been investigated by experiment, mass balance and thermodynamic simulations. The input for these calculations was based on clinker reaction measured by XRD-Rietveld refinement, on SCM reaction measured by SEM-EDS full element mapping and on C-S-H composition by SEM-EDS point analyses. A sensitivity analysis estimates the uncertainty of determination of phase volume as at best ± 2 cm{sup 3}/100 cm{sup 3}, and thus of rather semi-quantitative character. The differences between experiment and calculations regarding AFt/AFm, C-S-H and portlandite were assessed. Gel/space ratios computed using the volumes of all hydrates showed a clear correlation to compressive strength, which was unaffected by the mix composition. This suggests that the type of hydrates formed has little or no influence on the compressive strength and that the key factor is the space filling.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Resistance of concrete to different exposures with chloride-based salts

Formation of complex salts (oxychlorides) has been suspected for causing chemical degradation of concrete in cold regions. In this study, conditioned mode (controlled temperature and relative humidity) environmental scanning electron microscopy was specifically used to minimize changes in the crystal structures of oxychlorides phases and thus reliably capture their unaltered morphology and existence/effects on concrete exposed to different de-icing salts under two different environmental conditions (constant low temperature and wetting/drying (W/D) cycles). Formation of acicular flattened blades of 3- and 5-form magnesium oxychloride (MOX) and tiny fibrous crystals as well as subhedral pseudo-hexagonal calcium oxychloride plates (COX) were found in deteriorated concrete specimens, depending on the type of solution. The reversible formation of hydrous and anhydrous COX during W/D cycles had a significant effect on aggravating the kinetics of damage of concrete in this exposure. The combined salt (MgCl{sub 2} + CaCl{sub 2}), which simulates using a synergistic maintenance and protective strategy for concrete pavements in winter, was the most aggressive solution; thus, this practice should be cautiously reconsidered. The incorporation of 30% fly ash had a pronounced effect on improving the concrete resistance to damage as reflected by sound mechanical properties and longevity. Also, the performance of concrete was much enhanced when an innovative supplementary cementitious material, nanosilica, was incorporated in the cementitious system.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Microstructural packing- and rheology-based binder selection and characterization for Ultra-high Performance Concrete (UHPC)

This paper reports strategies to design the binder phase of ultra-high performance concretes (UHPC) from commonly available cement replacement (fly ash, slag, microsilica, metakaolin) and fine filler (limestone) materials. A packing algorithm is used to extract the number density, mean centroidal distance, and coordination number of the microstructure. Similarly, rheological studies on the pastes provide yield stress, plastic viscosity, and min-slump spread. The selection criteria involves using the three microstructural and three rheological parameters individually or in combination to define packing and flow coefficients. The selection criteria is flexible enough to allow users modify the constraints depending on the application. In this study, only ternary and quaternary blends, with a total cement replacement of 30% by mass are selected for further characterization. The highly efficient microstructural packing in these mixtures and better workability that facilitated dispersion of particles to enhance the reactivity results in beneficial pore structure and mechanical properties.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Estimating the mechanical properties of hydrating blended cementitious materials: An investigation based on micromechanics

The hydration model of Parrot & Killoh (1984) has been extended to blended cements and coupled to a micromechanical scheme similar to that of Pichler & Hellmich (2011) to estimate the Young modulus and the compressive strength of cementitious materials as a function of time. A finite aspect ratio of 7 is introduced to describe the shape of the hydrates and improve the estimate of the early age strength by the micromechanical scheme. Furthermore, accounting for the stress fluctuations in the cement paste partly explains the fact that the compressive strength of a concrete can be lower than that of its cement paste. Finally, the estimated physical properties are compared to numerous experimental measurements from the literature and new experimental measurements on blended cement pastes featuring significant weight fractions of limestone filler, fly ash or silica fume. It is shown that the present model slightly overestimates the dilution effect.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Mechanical properties and durability performance of concretes with Limestone Calcined Clay Cement (LC3)

The adoption of any binder system for structural concrete depends on the performance characteristics desired for addressing the long-term deformation and durability concerns. The major properties influencing the performance includes the shrinkage characteristics governing the long-term deformation, and durability characteristics related to various transport mechanisms, governing the performance in different service conditions. This paper describes the potential of Limestone Calcined Clay Cement (LC{sup 3}) for use in structural concrete in comparison with Ordinary Portland Cement (OPC) and fly ash based blended cement (FA30). Three types of concrete mixtures were designed for the study, two based on achieving an equivalent strength grade (M30 and M50 concrete grade) with each binder, and the third with equal binder content and w/b ratio. Mechanical properties such as compressive strength and elastic modulus, and autogenous and drying shrinkage, along with various durability parameters of the different concretes were assessed. Oxygen permeability, rapid chloride penetration, chloride migration, resistivity development and water sorptivity were the various parameters considered for evaluation of durability performance. The results indicate the superiority of LC{sup 3} binder over other binders in producing durable concrete, especially in a chloride laden environment. The major reason for the better performance was attributed to the more compact and dense microstructure of the system with the LC{sup 3} binder against OPC and FA30. The drying shrinkage performance was seen to be similar for concrete with all three binders.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Unveiling micro-chemo-mechanical properties of C–(A)–S–H and other phases in blended-cement pastes

Current demand for novel highly sustainable concrete urges improving the links between chemical and mechanical effects of supplementary cementitious materials (SCMs) on the microstructure of blended-cement pastes. In this work, coupled NanoIndentation and Quantitative Energy Dispersion Spectroscopy (NI-QEDS) was applied to disclose chemo-mechanical properties of microstructure phases in systems incorporating typical dosages of fly ash, slag, metakaolin, or glass powder. For a fixed water-to-binder ratio of 0.4, the C–(A)–S–H chemistry was significantly affected by the SCMs, while its average mechanical properties varied within the limited ranges M ≈ 25–27 GPa, H ≈ 0.7–0.8 GPa and C ≈ 180–230 GPa. The SCMs further changed the arrangement of anhydrous phases and minor hydrates embedded in the C–(A)–S–H matrix, which were also characterized (e.g., Portlandite, AFm such as carboaluminates, or an hydrotalcite-like phase). Finally, engineering properties of blended-cement matrices requires tailoring both the intermix of hydrates and the rigid anhydrous SCM inclusions.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Influence of fiber inclination angle on bond-slip behavior of different alkali-activated composites under dynamic and quasi-static loadings

This study investigates the influence of inclination angle (0° and 45°) on the interfacial bond-slip behavior of macro steel fibers (straight, hooked end-deformed and length-deformed) and length-deformed polypropylene fibers reinforced in fly-ash and metakaolin based alkali-activated composites (AACs) under quasi-static and dynamic loadings. AACs demonstrate superior peak bond strength and toughness compared to cement composites regardless of fiber type and loading rate. Results also show that straight steel fiber exhibits a complete pullout in AACs. The amount of deformation of the fibers (deformation ratio) determined the failure type at different inclination angle and loading rate, thus governing the peak load and energy absorption. Depending on the fiber orientation, premature fiber rupture or matrix cracking is observed under dynamic loading in AACs due to matrix brittleness. The fiber failure modes in dynamic pullout are no different from those observed in the quasi-static pullout in AACs.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Changes in microstructure characteristics of cement paste on carbonation

This study investigates the influence of carbonation on the microstructure of cement paste cast with Ordinary Portland Cement (OPC), fly ash based Portland Pozzolana Cement (PPC) and Limestone Calcined Clay Cement (LC{sup 3}) using X-ray diffraction (XRD), thermal analysis (TGA), scanning electron microscope (SEM) and mercury intrusion porosimeter (MIP). A comparison is made between samples exposed to 3% carbon dioxide concentration and those exposed to natural CO{sub 2} concentrations. It is observed that the products formed on carbonation are similar in both the exposure conditions. Distinct rims corresponding to decalcified C-S-H are observed around clinker grains in the carbonated samples. Coarsening of pore structure is observed on carbonation in all the cements and an increase in the total porosity is observed in blended cements. Thermodynamic modeling indicates irrespective of the type of cement the total solid volume is reduced on complete carbonation. The volume change occurring on carbonation obtained from experimental results and thermodynamic modeling are compared.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Modelisation of chloride reactive transport in concrete including thermodynamic equilibrium, kinetic control and surface complexation

In this study, a new physically and chemically based model taking into account thermodynamic equilibrium, kinetics and surface complexation is proposed to predict the ingress of chloride ions into saturated concretes. The numerical results of this multi-ionic model are compared to experimental data such as total and free chloride concentration profiles and chloride binding isotherms. With only one set of parameters, the results show very good agreement for chloride binding isotherm of concretes with different w/b, types of binders (CEM I, CEM III, and CEM I with fly ash) and various exposure conditions (NaCl solution at different concentrations). Such a model overcomes the use of empirical chloride binding isotherms that can be difficult to asses for concretes with supplementary cementitious materials. The very good results underline the need to take into account all the physical and chemical phenomena included in the model.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Hydration behavior of cements with reduced clinker factor in mixture with sulfoaluminate binder

CO{sub 2} regulation and raw material availability will strongly influence the future cement market and a wider use of composite cements containing limestone and pozzolan or slag is expected. In the present paper, the possibility to combine Portland cements (PCs) with reduced clinker factor with sulfoaluminate cement (CSA), is explored. Low Portland clinker cements are prepared in laboratory using different supplementary cementitious materials (limestone, slag, pozzolan and fly ash) and mixed with a sulfoaluminate cement: the hydration behavior of the resulting binders is investigated up to 90 days through a multi-technique approach involving X-ray diffraction, differential scanning calorimetry and nuclear magnetic resonance spectroscopy. Understanding the interaction mechanisms between SCMs and CSA/PC blends will support the development of innovative high performing binders based on CEM III or CEM V, or even on new standardized CEM II. Results highlight that slag is particularly suitable promoting late strength development.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Long-term cement hydration studies with isothermal calorimetry

The purpose of this study was to investigate for how long the thermal power of hydration can be measured with isothermal calorimetry, which is a general measurement technique with stable properties that, in many cases, can detect low rates of processes. Measurements were conducted for 365 days on cement paste with Portland cement, fly ash blended Portland cement and different water-to-binder ratios. The results showed that all the tested systems still produced a measureable signal after one year. The samples with Portland cement were also analyzed by XRD after 365 days, and phase composition calculations were made with GEMS. Together with the calorimetric results, these results were used to determine the degree of hydration by five methods, the results of which showed good agreement.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Efficacy of SCMs to mitigate ASR in systems with higher alkali contents assessed by pore solution method

This study demonstrates the efficacy of supplementary cementitious materials (SCMs) to mitigate alkali-silica reaction (ASR) even when used in conjunction with cement of higher alkali contents (up to 1% Na{sub 2}O{sub eq}). The expansion of concrete prisms was studied immersed in simulated pore solution in order to address the limitations of conventional ASR testing methods, accelerated mortar bar test (AMBT) and concrete prism test (CPT). Expansion results demonstrate that 25% fly ash and 50% slag are both sufficient to mitigate ASR even with cements with alkali content up to 1% Na{sub 2}O{sub eq} and that the pore solution method is a viable alternative ASR testing method. Massive amounts of ASR products (~20 μm thickness) were observed in concretes without SCMs consistent with high degree of expansion and extensive cracking. Small amounts of ASR products (≤5 μm thickness) were also observed in concrete with SCMs despite absence of significant expansion.

36 MATERIALS SCIENCE↗