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学术讲座:What can Molecular Simulation Do for Global Warming?

时间:2011年5月24日(星期二)  9:00 -11:00

地点:科学馆617会议室

 

What can Molecular Simulation Do for Global Warming?

De-en Jiang

Chemical Sciences Division, Oak Ridge National Laboratory, Tennessee, USA

 

Abstract: Burning fossil fuels such as coal, oil, and gas for electricity, heat, and transportation is the leading cause of increased concentration of carbon dioxide in the atmosphere, which is directly related to global warming. Post-combustion carbon capture and sequestration is a necessary and important step in mitigating the problem. In this talk, I will present our recent work in using molecular simulation to understand the interaction of CO2 with various novel separation media including ionic liquids and zeolitic imidazolate frameworks. This effort is motivated by recent developments of novel ionic liquids from our group and framework materials from others for carbon capture. Moreover, molecular simulation can help design new materials with higher CO2 capacity and selectivity. For example, guided by quantum chemistry, we showed that tetrahydrofuran-like ether oxygen can greatly enhance CO2 capacity and selectivity of porous aromatic frameworks.

 

 

Bio: De-en Jiang received his BS and MS degrees in Chemistry from Peking University. He then pursued his Ph.D. study at University of California, Los Angeles under the guidance of Prof. Emily A. Carter (now at Princeton University). After visiting Princeton University for one year to finish up his doctoral research with Prof. Carter, he received his Ph.D. degree in chemistry from UCLA in 2005. Then he joined Oak Ridge National Laboratory (ORNL) first as a postdoctoral research associate and then became a research staff member in 2006. His research interest lies in applying state-of-the-art computational methods to important chemical systems and problems. In 2009, he won ORNL’s Early Career Award for scientific achievement. In 2010, he won the Presidential Early Career Awards for Scientists and Engineers (PECASE), the highest honor bestowed by the United States government on outstanding scientists and engineers in the early stages of their independent research careers.

 

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