Understanding graphitization: developing a model for activated carbons

60多年来，为什么有些碳在加热下会石墨化，而另一些则不会，这仍然是一个谜。该问题具有实际重要性，因为非石墨化碳的氧化产生活性炭，活性炭是具有工业、医疗和环境应用的高价值产品。利用计算和实验技术，该项目将研究石墨化过程，并查明抑制它的结构元素。基于这些发现，该项目旨在开发活性炭的纳米级原子模型。预计这将是对化学工程领域的重要贡献，其中活性炭的当前模型忽略了网络中的曲率或氧的存在。

For over 60 years it has remained a puzzle why some carbons graphitise under heating while others do not. The question is of practical importance as oxidation of non-graphitising carbons produces activated carbon, a product of high value with industrial, medical and environmental applications. Using computational and experimental techniques the project will study the graphitisation process and pinpoint the structural elements which inhibit it. Based on these findings the project aims to develop a nanoscale atomistic model for activated carbons. This is expected to be an important contribution to the field of chemical engineering in which current models of activated carbon neglect either curvature in the network or the presence of oxygen.