首页|X-ray study and computer simulation of mechanically activated pseudowollastonite structure
X-ray study and computer simulation of mechanically activated pseudowollastonite structure
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NSTL
Elsevier
<![CDATA[<ce:abstract xmlns:ce="http://www.elsevier.com/xml/common/dtd" xmlns="http://www.elsevier.com/xml/ja/dtd" id="ab0005" xml:lang="en" view="all" class="author"><ce:section-title id="st0005">Abstract</ce:section-title><ce:abstract-sec id="as0005" view="all"><ce:simple-para id="sp0055" view="all">In this paper we report on X-ray studies on amorphization of pseudowollastonite following 30min mechanical activation using a centrifugal planetary mill AGO-2 in atmospheric air. In addition, milling resulted in chemical reaction which led to the formation of calcium carbonate and silica. In general, the chemical composition of the sample corresponded to the formula CaSi<ce:inf loc="post">0.997</ce:inf>C<ce:inf loc="post">0.014</ce:inf>O<ce:inf loc="post">3.02</ce:inf>. Theoretically calculated scattering intensity for a model of mechanical mixture corresponded to the following ratio: 0.75 scattering intensity of the cluster consisting of four unit cells of pseudowollastonite disordered in a molecular dynamic experiment; 0.25 scattering intensity of the cluster consisting of one unit cell of CaCO<ce:inf loc="post">3</ce:inf>; 0.25 scattering intensity of the cluster consisting of one unit cell of α-SiO<ce:inf loc="post">2.</ce:inf>The<ce:italic>R</ce:italic>-factor for scattering intensity<ce:italic>I</ce:italic>(<ce:italic>s</ce:italic>) was 5.5%. The curve of<ce:italic>s-</ce:italic>weighted interference function<ce:italic>H</ce:italic>(<ce:italic>s</ce:italic>) calculated for the model coincided with the experimental curve. Characteristics of tetrahedra arrangement in the initial pseudowollastonite cluster and in the same cluster after molecular dynamic were calculated by the method based on the searching for a coordination polyhedra in the clusters and the constructing of graphs.</ce:simple-para></ce:abstract-sec></ce:abstract><ce:abstract xmlns:ce="http://www.elsevier.com/xml/common/dtd" xmlns="http://www.elsevier.com/xml/ja/dtd" id="ab0010" class="author-highlights" xml:lang="en" view="all"><ce:section-title id="st0010">Highlights</ce:section-title><ce:abstract-sec id="as0010" view="all"><ce:simple-para id="sp0060" view="all"><ce:list id="l0005"><ce:list-item id="li0005"><ce:label>?</ce:label><ce:para id="p0005" view="all">A mechanical mixture model of mechanically activated pseudowollastonite is proposed.</ce:para></ce:list-item><ce:list-item id="li0010"><ce:label>?</ce:label><ce:para id="p0010" view="all">A disordered cluster of 4 unit cell of pseudowollastinite is the main component of the model.</ce:para></ce:list-item><ce:list-item id="li0015"><ce:label>?</ce:label><ce:para id="p0015" view="all">Arrangement of SiO<ce:inf loc="post">4</ce:inf>tetrahedra in the cluster is characterized using graph theory.</ce:para></ce:list-item><ce:list-item id="li0020"><ce:label>?</ce:label><ce:para id="p0020" view="all">Some rings of three tetrahedra broke and chains with different lengths arose.</ce:para></ce:list-item></ce:list></ce:simple-para></ce:abstract-sec></ce:abstract>]]>
Amorphous pseudowollastoniteXRDShort-range orderMolecular dynamicDebye's methodGraph theory method
NSTL
Elsevier
