Gibbs free energy minimization is employed to carry out thermodynamic equilibrium analysis studies of mixtures containing methane, carbon monoxide, carbon dioxide, water, and hydrogen ideal gases, and possibly solid carbon. The employed global minimization approach represents a general, unifying, conceptual framework that allows reaction and phase equilibrium analysis to be simultaneously carried out in the atom‐mol fraction space (a_H, a_O), thus capturing in a comprehensive manner the equilibrium behavior of a number of industrially important processes, such as methane reforming (steam, dry, energetically enhanced), and methanation. Two theorems are presented, establishing necessary and sufficient (necessary) feasibility and regularity (optimality) conditions for the aforementioned minimization problem. The equilibrium results obtained through application of these theorems are guaranteed to be globally optimal. They quantify in (a_H, a_O) space, the feasible region, the carbon formation region, and all species mole over total atom‐mol normalized ratios, for a range of temperatures and pressures.

中文翻译：

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使用吉布斯自由能全局最小化对CH–H–O原子空间中CH4，CO，CO2，H2O，H2，C混合物进行平衡分析

吉布斯自由能最小化用于对包含甲烷，一氧化碳，二氧化碳，水和氢的理想气体，可能还有固体碳的混合物进行热力学平衡分析。所采用的全局极小方法代表一般的，统一的，概念框架，允许反应和相平衡分析在原子摩尔分数的空间中同时进行（一个_ħ， 一个_ö），从而全面捕获了许多工业上重要过程的平衡行为，例如甲烷重整（蒸汽重整，干燥，能量增强）和甲烷化。提出了两个定理，为上述最小化问题建立了必要的和充分的（必要的）可行性和规则性（最优性）条件。通过应用这些定理获得的均衡结果被保证是全局最优的。它们量化（一个_ħ， 一个_ö）空间，可行区域，碳形成区域，和所有物种痣超过总原子的摩尔归一化比率，对于一定范围的温度和压力。