由于青海地区海拔高，气压低于常压为0.77 atm，文章基于该气压条件下对粉煤灰碳热氯化提铝工艺的热力学进行分析，运用热力学软件Factsage针对工艺所涉及到的区域优势图、多元复杂体系平衡组分、氯化物间相图等方面进行计算模拟。结果显示，在适宜条件下，碳热氯化可以将原本不能直接与氯气反应的Al2O3和SiO2完全转变成氯化物，证实了碳热氯化工艺的热力学可行性。Fe2O3的碳热氯化产物FeCl3(Fe2Cl6)和FeCl2的比例随着氯量和碳量的变化而变化。催化剂Na2CO3、CaCO3、B2O3在反应中具有耗碳、耗氯的热力学副作用。氯化产物会对AlCl3(Al2Cl6)的挥发造成影响。相比常压地区，低于常压条件下的碳热氯化反应有优势也有劣势。通过研究与计算，为粉煤灰碳热氯化提铝工艺提供了热力学依据。

Because of the high altitude of Qinghai, its air pressure is 0.77 atm which is lower than the atmospheric pressure. Therefore, an analysis is done for carbochlorination reaction of flyash for the extraction of aluminum in such an environment. The phase diagrams and predominance area diagram on chlorides are calculated and drawn and the equilibrium compositions of complex system composed of multi-components are simulated by Factsage software. Results show that, carbochlorination reaction converts Al2O3 and SiO2 which can not directly react with chlorine gas originally to chloride completely, and this demonstrates the thermodynamics feasibility of carbochlorination process. The ratio of FeCl3(Fe2Cl6) to FeCl2 changes with the amount of carbon and chlorine gas. The catalysts like Na2CO3, CaCO3 and B2O3 have some side effects in the aspect of thermodynamics such as consuming chlorine gas and carbon. The volatility of AlCl3(Al2Cl6) is affected by other chlorides. Compared with the normal pressure region, there are advantages and disadvantages to carbochlorination reaction under the pressure below the normal. The work provides thermodynamic data for the process.

青海省自然科学基金青年项目(2014-ZJ-933Q)。