Thermodynamic Analysis of the Key Reactions in Synthesizing Inorganic Silicon Compounds or Products

Inorganicsilicon compounds or products, such as silicon oxides(SiO2), metallurgical silicon (m-Si), silicon carbide (SiC),silicon halides (such as SiH n Cl4-n , n = 0-4 or SiX n , X = F, n = 2; X = Br, n = 4), silicon hydrides (SiH4 and Si2H6), nitrogen compounds (Si3N4),and the others (Si2Cl6 and Si2OCl6), have been remarkably developed in the past years. Siliconchemistry involves various important reactions, such as the hydrochlorinationof silicon to chlorosilanes, hydrogenation of silicon tetrachloridein the presence of silicon to trichlorosilane, reduction of quartzsand by carbon to silicon, silicon carbide, and silicon monoxide (alsoknown as the Acheson process). Understanding the basic thermodynamicsof these reactions is essential for optimizing the related reactionconditions and catalyst development (if any). This work comprehensivelyinvestigated the thermodynamics of silicon-related reactions by usingthe Gibbs energy minimization method. The effects of the reactionconditions, including temperature, pressure, and ratio of reactants,on the conversion of reactants and the product selectivity, are quantitativelycalculated in detail. Optimal operational conditions for each reactionare suggested. This work provides a comprehensive reference for reactionthermodynamics for silicon-related key industrial reactions.