Download or read book Simulation on Hydration of Tricalcium Silicate in Cement Clinker written by Dejian Shen and published by Springer Nature. This book was released on 2023-08-24 with total page 195 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is written based on authors' research on cement hydration during the past decade. It establishes simulation model to evaluate the influence of crystal defects on the dissolution of tricalcium silicate and morphology change of particles and explores the hydration kinetics and microstructure development of tricalcium silicate under the mixed control of dissolution, diffusion, as well as boundary nucleation and growth. It also provides a theoretical basis for regulating the microstructure and performance of cement-based materials. It is designed as a reference work for professionals or practitioners and as a textbook for undergraduates or postgraduates. This book provides valuable knowledge and useful methods that can be applied in the field of cement hydration.
Download or read book Simulation of Interfaces in Construction Materials written by Ratan K. Mishra and published by . This book was released on 2012 with total page 131 pages. Available in PDF, EPUB and Kindle. Book excerpt: Concrete is the most widely used building material in the world and it is impractical to think about its substitution with any other materials such as steel, wood and brick etc. Cement is the only component, which is responsible for binding in the concrete and also accountable for large share of human-made CO2 during cement production. To produce cement in a more environmental friendly way, we present the very first fundamental study on interfacial properties of tricalcium silicate. Tricalcium silicate is the major constituent (accounting for 50-70% of the mass of Portland cement) of cement clinker, which exists in the form of alite in cement as an impure form and also serves as a model for Portland cement due to similar reaction kinetics. Besides, we also consider studying the interfacial and adsorption properties on gypsum and plaster of Paris to enhance our knowledge on mechanism involved in chemical processes during gypsum wallboard production. Molecular dynamics simulations using models with validated structural and surface properties have been employed to gain insight into interfacial adsorption and reaction dynamics in conjunction with measurements. New models and simulation in all-atomic resolution aid in understanding molecular-level processes related to grinding of cement clinkers, adsorption of organic additives, and the action of dispersants on gypsum and plaster of Paris. Grinding of clinker is a crucial step in cement production which consumes a lot of energy and limits the overall throughput of a given plant. Our work can contribute to reduce this. We present and validate a force field model for tricalcium silicate (C3S) and alite (defective C3S) which yields structural and surface properties in quantitative agreement with experiment and is compatible with materials and biologically oriented force fields (PCFF, COMPASS, CVFF, AMBER and CHARMM) for the simulation of complex aqueous interfaces. The models are employed to analyze cleavage energies of C3S for a large set of possible cleavage planes which are in a narrow range of 1250 to 1450 mJ/m2 consistent with the approximate spherical shape of the particles and measurements of the surface energy of similar minerals. Present work also aims at understanding the effectiveness of grinding aids by computing molecular adsorption of organic molecules such as TIPA (Triisopropanol amine), TEA (Triethanol amine), glycerine and polycarboxylate ester (PCE) on the dry and hydroxylated C3S surfaces, which are believed to be more representative of reality due to humidity presence during the grinding. In addition, we have also validated the force field model for gypsum (CaSO4 •2H2O) and plaster of Paris (CaSO4•0.5H2O) by calculating surface and interfacial energies of crystallographic planes of both the compounds. In gypsum, the (010) surface yields a minimal cleavage energy of 297 ± 7 mJ/m2 due to cleavage across double layers of water molecules. Together with contributions from remaining surfaces (120), (-111) and (011), an average surface energy of 373 ± 20 mJ/m2 is computed in agreement with experimental data (370 ± 20 mJ/m2) and solid-water interface tension, 67 ± 3 mJ/m2 as a Wulff average (experiment 64 mJ/m2). The minimum cleavage energy and solid-water interface tension of plaster of Paris are 480 ± 40 mJ/m2 for (010) plane and -35 ± 3 mJ/m2 for (001) plane respectively. Cleavage energy is higher than gypsum due to the lower water content in (010) plane and the lower interface tension is due to hydration reaction with water.
Download or read book Simulation of Hydration and Formation of Structure in Hardening Cement based Materials written by Klaas van Breugel and published by . This book was released on 1997 with total page 334 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Study of hydration processes of Portland cements blended with supplementary cementitious materials written by Axel Schöler and published by GRIN Verlag. This book was released on 2012-08-16 with total page 147 pages. Available in PDF, EPUB and Kindle. Book excerpt: Master's Thesis from the year 2012 in the subject Chemistry - Materials Chemistry, grade: 1,3, TU Bergakademie Freiberg (Institut für Glas, Keramik und Baustofftechnik), course: Bauchemie, language: English, abstract: The production of Portland cement clinker has a share of about 6% to 8% on the global CO2-emissions . Approximately 60% of those emissions are attributable to the decarbonation of limestone. A widespread approach for the reduction of the CO2-emissions is to replace the clinker in the cement by pozzolanic waste materials, e.g. fly ash. The reaction of fly ash is generally slow. Due to this slow reaction cement pastes mixed of Portland cement and fly ash have a slower strength development than pure Portland cement, at least at early ages up to 7 days. The goal of this study was to increase early strength properties of Portland cement/fly ash blends by increasing the early ettringite formation in order to decrease the porosity. Therefore various amounts of anhydrite and laboratory synthesised C3A were added to Portland cement/fly ash systems that contained 30% fly ash. The behavior of these systems in terms of kinetics, phase development and microstructure was studied by means of strength tests, isothermal calorimetry, thermogravimetric analysis, chemical shrinkage, X-ray diffraction, backscattered electron image analysis, mercury intrusion porosimetry and thermodynamic modeling. In addition the activation by Na2SO4 was investigated on certain systems. It was found that the amount of ettringite formed increases gradually with increasing amounts of anhydrite and C3A. The formation of ettringite was completed at approximately 1 day. Further the activation with Na2SO4 increased the amount of ettringite and shifted the completion of its formation to approximately 2 days. Due to the addition of anhydrite and C3A the porosity decreased corresponding to the amount of ettringite formed. The effects on the development of early strength were most distinct for very high additions and for systems activated by Na2SO4. All systems showed equal strengths at 7 d and 28 d. For later ages up to 90 days, the benefits at early ages were found to be inversed, leading to lower strength values compared to systems without or with low additions of anhydrite, C3A or Na2SO4. Eventually the increase in early strength was either too low to be significant or only relevant at very high additions of anhydrite and C3A with simultaneous system activation by Na2SO4. In terms of kinetics a remarkable impact of the added C3A was observed as this seemed to significantly accelerate the silicate reaction of the Portland cement.
Download or read book PRO 13 2nd International RILEM Symposium on Hydration and Setting Why does cement set An interdisciplinary approach written by A. Nonat and published by RILEM Publications. This book was released on 2000 with total page 448 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Mathematical Modeling of Tricalcium Silicate Hydration written by James P. Kelly and published by . This book was released on 1982 with total page 320 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Computational Modelling of Concrete Structures written by Günther Meschke and published by CRC Press. This book was released on 2018-01-31 with total page 1034 pages. Available in PDF, EPUB and Kindle. Book excerpt: The EURO-C conference series (Split 1984, Zell am See 1990, Innsbruck 1994, Badgastein 1998, St. Johann im Pongau 2003, Mayrhofen 2006, Schladming 2010, St. Anton am Arlberg 2014, and Bad Hofgastein 2018) brings together researchers and practising engineers concerned with theoretical, algorithmic and validation aspects associated with computational simulations of concrete and concrete structures. Computational Modelling of Concrete Structures reviews and discusses research advancements and the applicability and robustness of methods and models for reliable analysis of complex concrete, reinforced concrete and pre-stressed concrete structures in engineering practice. The contributions cover both computational mechanics and computational modelling aspects of the analysis and design of concrete and concrete structures: Multi-scale cement and concrete research: experiments and modelling Aging concrete: from very early ages to decades-long durability Advances in material modelling of plain concrete Analysis of reinforced concrete structures Steel-concrete interaction, fibre-reinforced concrete, and masonry Dynamic behaviour: from seismic retrofit to impact simulation Computational Modelling of Concrete Structures is of special interest to academics and researchers in computational concrete mechanics, as well as industry experts in complex nonlinear simulations of concrete structures.
Download or read book Electronic Structure Methods for Complex Materials written by Wai-Yim Ching and published by OUP Oxford. This book was released on 2012-05-17 with total page 328 pages. Available in PDF, EPUB and Kindle. Book excerpt: Density functional theory (DFT) has blossomed in the past few decades into a powerful tool that is used by experimentalists and theoreticians alike. This book highlights the extensive contributions that the DFT-based OLCAO method has made to progress in this field, and it demonstrates its competitiveness for performing ab initio calculations on large and complex models of practical systems. A brief historical account and introduction to the elements of the theory set the stage for discussions on semiconductors, insulators, crystalline metals and alloys, complex crystals, non-crystalline solids and liquids, microstructure containing systems and those containing impurities, defects, and surfaces, biomolecular systems, and the technique of ab initio core level spectroscopy calculation.
Download or read book Mathematical Modeling of Fluid Flow and Heat Transfer in Petroleum Industries and Geothermal Applications written by Mehrdad Massoudi and published by MDPI. This book was released on 2020-04-16 with total page 470 pages. Available in PDF, EPUB and Kindle. Book excerpt: Geothermal energy is the thermal energy generated and stored in the Earth's core, mantle, and crust. Geothermal technologies are used to generate electricity and to heat and cool buildings. To develop accurate models for heat and mass transfer applications involving fluid flow in geothermal applications or reservoir engineering and petroleum industries, a basic knowledge of the rheological and transport properties of the materials involved (drilling fluid, rock properties, etc.)—especially in high-temperature and high-pressure environments—are needed. This Special Issue considers all aspects of fluid flow and heat transfer in geothermal applications, including the ground heat exchanger, conduction and convection in porous media. The emphasis here is on mathematical and computational aspects of fluid flow in conventional and unconventional reservoirs, geothermal engineering, fluid flow, and heat transfer in drilling engineering and enhanced oil recovery (hydraulic fracturing, CO2 injection, etc.) applications.
Download or read book Smart Nanoconcretes and Cement Based Materials written by Mohd Shahir Liew and published by Elsevier. This book was released on 2019-11-16 with total page 726 pages. Available in PDF, EPUB and Kindle. Book excerpt: Smart Nanoconcretes and Cement-Based Materials: Properties, Modelling and Applications explores the fundamental concepts and applications of smart nanoconcretes with self-healing, self-cleaning, photocatalytic, antibacterial, piezoelectrical, heating and conducting properties and how they are used in modern high-rise buildings, hydraulic engineering, highways, tunnels and bridges. This book is an important reference source for materials scientists and civil engineers who are looking to enhance the properties of smart nanomaterials to create stronger, more durable concrete. Explores the mechanisms through which active agents are released from nanocontainers inside concrete Shows how embedded smart nanosensors, including carbon cement-based smart sensors and micro/nano strain-sensors, are used to increase concrete performance Discusses the major challenges of integrating smart nanomaterials into concrete composites
Download or read book Cement hydration written by Harald Justnes and published by . This book was released on 1997 with total page 572 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Binders for Durable and Sustainable Concrete written by Pierre-Claude Aitcin and published by CRC Press. This book was released on 2007-07-05 with total page 528 pages. Available in PDF, EPUB and Kindle. Book excerpt: Linking theory to practice, this book provides a better fundamental understanding of Portland cement and hydraulic binders which is necessary to make better concrete. It has been clearly demonstrated that concrete durability is closely linked to its water/binder ratio and proper curing during the first week after casting. In this rigorously presented work, Pierre-Claude Aïtcin explains the complexity of the hydration reaction and how to make, use and cure durable and sustainable concrete. This book also details the problems with Portland cement composition at present and outlines the concept of an ideal hydraulic binder which is technically and ecologically efficient, as well as being long-lasting and robust. Binders for Durable and Sustainable Concrete is a practical and innovative reference text which will be particularly relevant to engineers and chemists working in the Portland cement, concrete and admixture industries. This book will also be of interest to academics and graduate-level students in Civil Engineering departments who specialize in Portland cement and concrete technology.
Download or read book Molecular Simulation on Cementitious Materials From Computational Chemistry Method to Application written by Dongshuai Hou and published by Frontiers Media SA. This book was released on 2022-02-09 with total page 148 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Alkali Activated Materials written by John L. Provis and published by Springer Science & Business Media. This book was released on 2013-11-19 with total page 396 pages. Available in PDF, EPUB and Kindle. Book excerpt: This is a State of the Art Report resulting from the work of RILEM Technical Committee 224-AAM in the period 2007-2013. The Report summarises research to date in the area of alkali-activated binders and concretes, with a particular focus on the following areas: binder design and characterisation, durability testing, commercialisation, standardisation, and providing a historical context for this rapidly-growing research field.
Download or read book Reactive Transport Modeling written by Yitian Xiao and published by John Wiley & Sons. This book was released on 2018-03-12 with total page 560 pages. Available in PDF, EPUB and Kindle. Book excerpt: Teaches the application of Reactive Transport Modeling (RTM) for subsurface systems in order to expedite the understanding of the behavior of complex geological systems This book lays out the basic principles and approaches of Reactive Transport Modeling (RTM) for surface and subsurface environments, presenting specific workflows and applications. The techniques discussed are being increasingly commonly used in a wide range of research fields, and the information provided covers fundamental theory, practical issues in running reactive transport models, and how to apply techniques in specific areas. The need for RTM in engineered facilities, such as nuclear waste repositories or CO2 storage sites, is ever increasing, because the prediction of the future evolution of these systems has become a legal obligation. With increasing recognition of the power of these approaches, and their widening adoption, comes responsibility to ensure appropriate application of available tools. This book aims to provide the requisite understanding of key aspects of RTM, and in doing so help identify and thus avoid potential pitfalls. Reactive Transport Modeling covers: the application of RTM for CO2 sequestration and geothermal energy development; reservoir quality prediction; modeling diagenesis; modeling geochemical processes in oil & gas production; modeling gas hydrate production; reactive transport in fractured and porous media; reactive transport studies for nuclear waste disposal; reactive flow modeling in hydrothermal systems; and modeling biogeochemical processes. Key features include: A comprehensive reference for scientists and practitioners entering the area of reactive transport modeling (RTM) Presented by internationally known experts in the field Covers fundamental theory, practical issues in running reactive transport models, and hands-on examples for applying techniques in specific areas Teaches readers to appreciate the power of RTM and to stimulate usage and application Reactive Transport Modeling is written for graduate students and researchers in academia, government laboratories, and industry who are interested in applying reactive transport modeling to the topic of their research. The book will also appeal to geochemists, hydrogeologists, geophysicists, earth scientists, environmental engineers, and environmental chemists.
Download or read book Nucleation Theory written by V.I. Kalikmanov and published by Springer. This book was released on 2012-11-28 with total page 319 pages. Available in PDF, EPUB and Kindle. Book excerpt: One of the most striking phenomena in condensed matter physics is the occurrence of abrupt transitions in the structure of a substance at certain temperatures or pressures. These are first order phase transitions, and examples such as the freezing of water are familiar in everyday life. The conditions at which the transformation takes place can sometimes vary. For example, the freezing point of water is not always 0°C, but the liquid can be supercooled considerably if it is pure enough and treated carefully. The reason for this phenomenon is nucleation. This monograph covers all major available routes of theoretical research of nucleation phenomena (phenomenological models, semi-phenomenological theories, density functional theories, microscopic and semi-microscopic approaches), with emphasis on the formation of liquid droplets from a metastable vapor. Also, it illustrates the application of these various approaches to experimentally relevant problems. In spite of the familiarity of the involved phenomena, it is still impossible to calculate nucleation accurately, as the properties and the kinetics of the daughter phase are insufficiently well known. Existing theories based upon classical nucleation theory have on the whole explained the trends in behavior correctly. However they often fail spectacularly to account for new data, in particular in the case of binary or, more generally, multi-component nucleation. The current challenge of this book is to go beyond such classical models and provide a more satisfactory theory by using density functional theory and microscopic computer simulations in order to describe the properties of small clusters. Also, semi-phenomenological models are proposed, which attempt to relate the properties of small clusters to known properties of the bulk phases. This monograph is an introduction as well as a compendium to researchers in soft condensed matter physics and chemical physics, graduate and post-graduate students in physics and chemistry starting on research in the area of nucleation, and to experimentalists wishing to gain a better understanding of the efforts being made to account for their data.
Download or read book Microporomechanics written by Luc Dormieux and published by John Wiley & Sons. This book was released on 2006-08-14 with total page 344 pages. Available in PDF, EPUB and Kindle. Book excerpt: Intended as a first introduction to the micromechanics of porous media, this book entitled “Microporomechanics” deals with the mechanics and physics of multiphase porous materials at nano and micro scales. It is composed of a logical and didactic build up from fundamental concepts to state-of-the-art theories. It features four parts: following a brief introduction to the mathematical rules for upscaling operations, the first part deals with the homogenization of transport properties of porous media within the context of asymptotic expansion techniques. The second part deals with linear microporomechanics, and introduces linear mean-field theories based on the concept of a representative elementary volume for the homogenization of poroelastic properties of porous materials. The third part is devoted to Eshelby’s problem of ellipsoidal inclusions, on which much of the micromechanics techniques are based, and illustrates its application to linear diffusion and microporoelasticity. Finally, the fourth part extends the analysis to microporo-in-elasticity, that is the nonlinear homogenization of a large range of frequently encountered porous material behaviors, namely, strength homogenization, nonsaturated microporomechanics, microporoplasticity and microporofracture and microporodamage theory.
