人造金刚石低压气相生长的相图计算

用非平衡热力学耦合模型计算了由CH₄/H₂，CO/H₂和乙炔火焰等气相体系生长金刚石的相图．与经典平衡热力学理论计算结果不同的是这些相图都有一个金刚石生长区存在．相图中的金刚石生长区是实现金刚石气相生长的热力学基础，它的存在体现了超平衡氢原子等激活粒子对石墨的激活和对金刚石的稳定作用．计算的相图与报道的实验结果基本相符，因而对金刚石气相生长的理论和实验研究具有重要的指导意义 关键词：

PHASE DIAGRAM CALCULATION OF DIAMONDGROWTH FROM LOW PRESSURE GASES

The phase diagrams of diamond growth from CH₄/H₂, CO/H₂ gases and oxyacetylene flames are calculated by non-equilibrium thermodynamic coupling model in the paper. These phase diagrams are different from those derived from classical equilibrium thermodynamic theory. A diamond growth region, which is the thermodynamic basis of diamond synthesis, exists in each calculated phase diagram. The diamond growth region reflects the roles of those activated particles such as super equilibrium atomic hydrogen during diamond deposition. The calculated phase diagrams are agreement with many reported experimental results, and they will be of favor of theoretical and experimental studies of diamond growth from gas mixtures.