This study presents for the first time a systematic investigation of the thermodynamic properties of sodium aluminosilicate hydrate (N-A-S-H), through dissolution of pure synthetic N-A-S-H gels. Changes to the chemical composition and gel structure of N-A-S-H were determined characterisation of the solid phase before and after dissolution by multinuclear solid state nuclear magnetic resonance spectroscopy, scanning electron microscopy coupled with energy dispersive X-ray spectroscopy, and X-ray diffraction measurements. The correlations between the bulk Si/Al ratio of the N-A-S-H phase and its thermodynamic properties were studied by characterisation of the aqueous phase and calculation of solubility constants. The solubility of synthetic N-A-S-H was compared with the solubility of metakaolin-based geopolymers with similar bulk Si/Al ratios. The solubility (log ) of both the synthetic N-A-S-H gels and metakaolin-based geopolymers showed a close to linear correlation with the bulk Si/Al ratio of the phase. Lower solubility was observed for N-A-S-H gels and geopolymers with a higher bulk Si/Al ratio. This new insight is fundamental to understanding the physiochemical properties of geopolymers, and provides essential information for predicting their long-term stability and durability.
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Contrib Mineral Petrol
September 2024
Department of Chemistry and Physics of Materials, Division Mineralogy, University of Salzburg, Jakob-Haringerstrasse 2a, 5020 Salzburg, Austria.
Unlabelled: A new activity model for biotite is formulated in the system KO-FeO-MgO-AlO-SiO-HO-TiO-O (KFMASHTO), which extends that for the KFMASH system by introducing a titanium-biotite and a ferric-biotite end-member (: K(TiMg)[(O)(AlSi)O] and : K(FeMg)[(OH)(AlSi)O]), as well as a pyrophyllite end-member (: Al[(OH)SiO]) that accounts for the presence of octahedral excess-Al in natural biotites. Phonon calculations applying density functional theory (DFT) using the software yielded the standard entropies of and as = 328.06 J/(mol·K) and = 301.
View Article and Find Full Text PDFSci Total Environ
November 2024
College of Biological and Environmental Engineering, Guiyang University, Guiyang 550005, China.
Red mud and phosphogypsum are two of the most typical bulk industrial solid wastes. How they can be efficiently recycled as resources on a large scale and at low costs has always been a global issue that urgently needs to be solved. By constructing a small-scale test site and preparing two types of artificial soils using red mud and phosphogypsum, this study simulated their engineering applications in vegetation restoration and ecological reconstruction.
View Article and Find Full Text PDFJ Chem Phys
March 2024
Van 't Hoff Institute for Molecular Sciences, University of Amsterdam, Amsterdam 1012 WX, The Netherlands.
ReaxFF reactive force field bridges the gap between nonreactive molecular simulations and quantum mechanical calculations and has been widely applied during the past two decades. However, its application to earth materials, especially those under high T-P conditions relevant to Earth's interior, is still limited due to the lack of available parameters. Here, we present the development and validation of a ReaxFF force field containing several of the most common elements in Earth's crust, i.
View Article and Find Full Text PDFMater Horiz
October 2023
Key Laboratory of Science and Technology on Wear and Protection of Materials, Lanzhou Institute of Chemical Physics, Chinese Academy of Sciences, Lanzhou 730000, China.
Two-dimensional (2D) molybdenum disulfide exhibits a variety of intriguing behaviors depending on its orientation layers. Therefore, developing a template-free atomic layer orientation controllable growth approach is of great importance. Here, we demonstrate scalable, template-free, well-ordered vertically-oriented MoS nanowire arrays (VO-MoS NWAs) embedded in an Ag-MoS matrix, directly grown on various substrates (Si, Al, and stainless steel) one-step sputtering.
View Article and Find Full Text PDFEnviron Sci Pollut Res Int
June 2023
School of Civil Engineering, Shri Mata Vaishno Devi University, Jammu and Kashmir, Katra, India.
Blast furnace slag-based geopolymer mortars strengthened with human hair fibers were synthesized in the present study. The mixture of NaOH and NaSiO was used as activating solution. Zero percent, 0.
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