Phase tree, forecast of crystallizing phases and description of chemical interaction in the system KCl–CaCl2–BaCl2

I. Garkushin, O. Lavrenteva, A. Shterenberg
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Abstract

The construction of a phases tree of a ternary system with three binary compounds KCaCl3, K2BaCl4, CaBaCl4 is given. The phase tree includes four secondary phase triangles CaCl2–KCaCl3–СаBaCl4, CaBaCl4–KCaCl3–BaCl2, KCaCl3–BaCl2–K2BaCl4 and KCaCl3–CaBaCl4–KCl. These triangles are connected by three stable secants KCaCl3–СаBaCl4, KCaCl3–BaCl2, KCaCl3–K2BaCl4. Crystallizing phases in stable and secant elements correspond to the simplex tops. The presence of binary compounds on adjacent sides of the composition triangle made it possible to reveal, in addition to addition reactions, the reactions of mutual exchange. The description of the main reactions for mixtures corresponding to the intersection points of unstable and stable secants is carried out. The possibility of these reactions has been confirmed by thermodynamic calculation of thermal effects and Gibbs energies for standard conditions. Using the constructed tree of phases for any mixtures in a triangle of compositions, including 2...6 salts, a description of the chemical interaction by the ion balance method is carried out. The ion balance method allows you to determine the final composition after reaction in a secant or stable element. Complex gross-reactions are presented as a set of simpler reaction equations. The proposed method for description the chemical interaction can be used for other types of ternary systems with exchange reactions (metathesis) – with ion-exchange processes and with displacement reactions.
KCl-CaCl2-BaCl2体系的相树、结晶相预测及化学相互作用描述
给出了三种二元化合物KCaCl3, K2BaCl4, CaBaCl4三元体系相树的构造。相树包括四个次级相三角形CaCl2-KCaCl3 -СаBaCl4、CaBaCl4-KCaCl3-BaCl2、KCaCl3-BaCl2-K2BaCl4和KCaCl3-CaBaCl4-KCl。这些三角形由三个稳定的割线KCaCl3 -СаBaCl4, KCaCl3 - bacl2, KCaCl3 - k2bacl4连接。稳定元素和割线元素的结晶相对应于单纯相顶部。二元化合物在组成三角形的相邻两侧的存在,使得除了加成反应之外,还可以揭示相互交换的反应。对不稳定割线和稳定割线交点对应的混合物的主要反应进行了描述。通过热效应的热力学计算和标准条件下的吉布斯能,证实了这些反应的可能性。用所构造的相树对任何混合物的三角形组成,包括2…6种盐,用离子平衡法描述了化学相互作用。离子平衡法可以测定在割线或稳定元素中反应后的最终成分。复杂的总反应被表示为一组更简单的反应方程。所提出的描述化学相互作用的方法可用于具有交换反应(复分解)的其他类型的三元体系-具有离子交换过程和位移反应。
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