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Phase Complex Modeling for the Na+,Sr2+||Cl–, $${\text{WO}}_{{\text{4}}}^{{{\text{2}}-}}$$ Three-Component Reciprocal System
Russian Journal of Inorganic Chemistry ( IF 2.1 ) Pub Date : 2021-07-12 , DOI: 10.1134/s0036023621070044
A. V. Burchakov 1 , I. K. Garkushin 1 , I. M. Kondratyuk 1 , E. M. Egorova 1 , S. N. Milov 1
Affiliation  

Abstract

Phase equilibria were modeled in the form of a three-dimensional phase diagram for the Na+,Sr2+||Cl,\({\text{WO}}_{{\text{4}}}^{{{\text{2}}-}}\) three-component reciprocal system in the KOMPAS-3D program. The model used the invariant point coordinates determined in the prior study of the system. The largest crystallization field belongs is that of strontium tungstate due to its high melting temperature (1535°С). The system forms a congruently melting compound Na3ClWO4; its phase complex is divided into three stable triangles. The model was used to plot prognostic (isothermal and polythermal) sections and to get liquidus surface isotherms of the system. Described are also the molar balance of the components and phases of the system and a calculation algorithm in the MO Excel environment for quantifying chemical reactions in a mixture of a given composition and for calculating reaction products.



中文翻译:

Na+,Sr2+||Cl– 的相复合建模,$${\text{WO}}_{{\text{4}}}^{{{\text{2}}-}}$$ 三分量互惠制度

摘要

相平衡以 Na + ,Sr 2+ ||Cl 的三维相图的形式建模,\({\text{WO}}_{{\text{4}}}^{{{ \text{2}}-}}\) KOMPAS-3D 程序中的三分量互易系统。该模型使用在系统的先前研究中确定的不变点坐标。最大的结晶领域属于钨酸锶,因为它的熔化温度很高(1535°С)。该体系形成了同熔化合物 Na 3 ClWO 4; 它的相位复合体被分成三个稳定的三角形。该模型用于绘制预测(等温和多温)截面并获得系统的液相线表面等温线。还描述了系统的组分和相的摩尔平衡以及在 MO Excel 环境中用于量化给定成分的混合物中的化学反应和用于计算反应产物的计算算法。

更新日期:2021-07-12
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