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利用 FactSage software 软件计算了 BCl3–C3H6–H2体系的热力学相图,分析了反应气体分压、系统总压以及沉积温度对热力学相图中固相产物种类、分布区域及面积的影响规律与作用机制。结果表明:(1)系统总压是影响相图中固相产物种类、分布区域及其面积的最主要因素。随系统总压升高,固相产物由简到繁,相图内 B 单质区域的面积增加,B+B4C 及 B4C+C 区域面积减小,B4C 区域面积变化不明显,各区域明显右移;相图内气态区域面积增加。(2)反应气体分压影响相图中固相产物的元素含量。随 C3H6分压增加,固相产物由 B 含量高的产物向 C 含量高的产物转变,即由B单质或 B+B4C 向 B4C+C 转变。(3)在 800～1 200 ℃,沉积温度对相图中产物种类及分布的作用不明显,沉积过程不受热力学控制。
The thermodynamic phase diagram of BCl3-C3H6-H2 system was calculated by FactSage software, and the influence law and mechanism of reaction product partial pressure, system total pressure and deposition temperature on the type, distribution area and area of solid phase products in thermodynamic phase diagram were analyzed . The results show that: (1) The total system pressure is the most important factor affecting the type, distribution area and area of solid phase products in the phase diagram. With the increase of the total pressure of the system, the products of solid phase changed from simple to complex, the area of B simplex in the phase diagram increased, the area of B + B4C and B4C + C decreased, the area of B4C changed insignificantly, The gaseous area in the phase diagram increases. (2) The partial pressure of the reaction gas affects the elemental content of the solid phase product in the phase diagram. As the partial pressure of C3H6 increases, the product of the solid phase transitions from a product with a high content of B to a product with a high content of C, that is, a transition from element B or B + B4C to B4C + C. (3) At 800 ~ 1200 ℃, the effect of deposition temperature on the species and distribution of the phase diagram is not obvious, and the deposition process is not controlled by thermodynamics.