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Atomistic Representations of Coal, Char, Coke, and Soot: Similar Challenges of Scale and Partial Ordering

发布时间:2019-10-09    浏览次数:349    打印


邀请人:肖劲教授、仲奇凡副教授

Professor Dr. Jonathan P. Mathews

Title:

ACS Fellow

Undergraduate Program Chair of Energy Engineering

Unit:

John and Willie Leone Family Department of Energy and Mineral Engineering, College of Earth and Mineral Sciences, The Pennsylvania State University, University Park

  

报告内容:

The creation of atomistic representations (and their use) for coal, char, coke, and soot all have a similar challenge of both capturing the necessary scale to achieve appropriate structural diversity, behavior, and correctly incorporating partial ordering (alignment, stacking, and molecular curvature). The progress in these areas informed primarily by HRTEM image analysis of lattice fringe micrographs and with image-guided construction approaches (Fringe3D, Vol3D, and Shell-by-Shell) will be discussed along with the remaining challenges.