Applications to Clays and Minerals

Gallagher et al. (131) used TG and other TA techniques to study the preparation and performance of perovskite oxidation catalysts, La, xMxMn03, where M is Pb, Ca, Sr, or Ba and LaMn, xCux03+ , are catalysts (132). Patil et al. (133) studied the thermal decomposition and catalytic activity of Ba Ln, xCo03, where Ln is La, Nd, Sm, and Dy. 

Dunn (109) has summarized the major areas of application of TG and other TA techniques to clays and accessary minerals. These applications include  

Assessment of raw material deposits through characterization, classification, and analysis. 

Investigation of the changes in the raw materials resulting from industrial processing. 

General problem-solving techniques used when difficulties are encountered through changes in raw material, new technology, or new specifications. 

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Dunn (L91) described the application of DTA to clays and minerals. Application of the Derivatograph to rock analysis, clays, and minerals has been described by Selmeczi (192) and Paulik and Paulik (193). 

Sherman, D.M. (1985) Electronic structures of Ee " coordination sites in iron oxides application to spectra, bonding and magnetism. Phys. Chem. Min. 12 161-175 Sherman, D.M. (1987). Molecular orbital (SCF-Xa-SW) theory of metal-metal charge transfer processes in minerals I. Application to the Fe vpe charge transfer and electron delocalization in mixed-valenced iron oxides and si-licates.Phys Chem Min 70 1262-1269 Sherman, D.M. (1990) Crystal chemistry, electronic structure and spectra of Fe sites in clay minerals. Applications to photochemistry and electron transport. In Coyne, L.M. McKeever, S.W.S. Blake, D.F. (eds.) Spectroscopic characterization of minerals and their surfaces. A.C.S. Symposium Series 415, 284-309... 

One of the early fields of application of DTA was in the area of clays and minerals. These compounds, which gave birth to the theory and instrumentation of the technique, have been widely investigated. DTA was used to identify clays from various locations throughout the world and was widely used to determine the free quartz content of minerals. Numerous other applications were made of DTA DSC was little used due to the low-temperature capability of the latter. Most of the interesting thermal behavior of clays and minerals occur above 500°G and frequently above 1000°C. The applications of DTA to these materials is discussed by Mackenzie et al. (62, 186-188) and many others. 

Shroll RM, Smith DE (1999a) Molecular dynamics simulations in the grand canonical ensemble Formulation of a bias potential for umbrella sampling. J Chem Phys 110 8295-8302 Shroll RM, Smith DE (1999b) Molecular dynamics simulations in the grand canonical ensemble Application to clay mineral swelling. J Chem Phys 111 9025-9033 Smith DE, Haymet ADJ (1992) Strucmre and dynamics of water and aqueous solutions The role of flexibility. J Chem Phys 96 8450-8459... 

Clay minerals are isostructural with the mica, but with a random pattern of isomorphic substitutions within their tetrahedral or octahedral sheets, depending on the type of clay. We shall discuss the structural aspects of clay mineral hydrates in the first section of this chapter. Then classical simulations with Monte Carlo (MC) and molecular dynamics (MD) methods will be discussed, together with their application to clay mineral structure, surfacial water structure, adsorption of ions, adsorption of organic and inorganic compounds, and clay nanocomposites. 

Shroll, R. M. and Smith, D. E. Molecular dynamics simulations in the grand canonical ensemble application to clay mineral swelling. 1999, 111, 9025. 

All-Atom Models jor Interfaces and Application to Clay Minerals 61 2.3... 

All-Atom Models for Interlaces and Application to Clay Minerals... 

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