中文摘要：

利用吉布斯自由能最小原理，在Aspen Plus的Gibbs反应器模块中对传统西门子法还原过程进行模拟分析。考察了主要操作参数对多晶硅和副产物的转化率及能耗的影响。经过工艺参数优化，得到压力为100 kPa，氢气与三氯氢硅摩尔比为3/1时，多晶硅产率为44％，能耗为0．0185 GJ/kg。同时模拟了在传统工艺的进料中加入二氯二氢硅，得到在100 kPa下，二氯二氢硅、三氯氢硅和氢气摩尔比为1∶1∶5时，与传统工艺相比多晶硅产率提高9．5％，四氯化硅产率降低8．5％，能耗降低33％，节约氢气16．7％。

英文摘要：

The simulations of Siemens process were performed in the Gibbs reactor module of Aspen Plus software based on the Gibbs principle of minimum free energy.The effects of several key operational parameters on the equilibrium yields of polycrystalline silicon and other by-products as well as the energy consumption of process were comprehensively simulated and discussed.By virtue of the optimization of process parameters,the simulation results indicate that the best operational conditions of pressure and the mole ratio of hydrogen and trichlorosilane are 100 kPa and 3∶1 ,respectively,at which the production efficiency of polysilicon is 44%and the energy consumption is 0.018 5 GJ/kg.In addition,the advanced Siemens-based process of introducing dichlorosilane into feedstock at 100 kPa and the mole ratio of SiH2 Cl2/SiHCl3/H2 of 1∶1∶5 was also simulated.The simulated results were compared with that of the conventional process,indicating that the productivity of polysilicon is increased by 9 .5%and tetrachlorosilane is reduced by 8.5%;the energy consumption is decreased by 33%and hydrogen is saved by 16.7%.