To get deep understanding of the reaction mechanism of coal pyrolysis in hydrogen plasma, the decomposition reaction pathways of aliphatic hydrocarbons and cycloalkanes, which are two main components in volatiles from coal, were investigated. Methane and cyclohexane were chosen as the model compounds. Density functional theory was employed, and many reaction pathways were involved. Calculations were carried out in Gaussian 09 at the B3LYP/6-31G（d,p） level of the theory. The results indicate that the main pyrolysis products of methane and cyclohexane in hydrogen plasma are both hydrogen and acetylene, and the participation of active hydrogen atoms makes dehydrogenation reactions more favorable. H2 mainly comes from dehydrogenation process, while many reaction pathways are responsible for acetylene formation. During coal pyrolysis in hydrogen plasma, three main components in volatiles like aliphatic hydrocarbons, cycloalkanes and aromatic hydrocarbons lead to the formation of hydrogen and acetylene, but their contributions to products distribution are different.
With the combination between system simulation and virtual reality,we have established an integrated virtual refinery simulation platform,and analyzed the overall design and principal architecture.This paper introduces a simulation algorithm about a refinery based on virtual reality,and explains how the algorithm can be applied to the virtual refinery integrated simulation platform in detail.The virtual refinery simulation platform,which consists of a three-dimensional scene system,an integrated database system and a dynamic-static simulation system,has many applications,such as dynamic-static simulation of key process unit used as process control and oil tank blending simulation for scheduling.With the visualization and human-computer interaction for acquiring production and process data,this platform can provide effective supports on staff training related with monitoring,control and operation in refinery.Virtual refinery can also be web published through the internet and it is helpful for the distance training and education.
