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A Molecular Mechanism of Water Evaporation

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报告题目   A Molecular Mechanism of Water Evaporation
报告人   Dr. Yuki Nagata
报告人单位   Department of Molecular Spectroscopy,Max-Planck Institute for Polymer Research, Mainz, Germany
报告时间   2015-10-30
报告地点   资源环境楼(化学院)一楼学术报告厅
主办单位   合肥微尺度物质科学国家实验室
报告介绍
报告摘要:
Evaporation is the process by which water changes from a liquid to a gas or vapor, and is a key step in the earth’s water cycle. At the molecular level, evaporation requires breaking at least one very strong intermolecular bond between two water molecules at the interface. Despite the importance of this process, the molecular mechanism by which an evaporating water molecule gains sufficient energy to escape from the surface, has remained elusive. Here, we show, using molecular dynamics simulations at the water-air interface with polarizable classical force field models, that the high kinetic energy of the evaporated water molecule is enabled by a well-timed making and breaking of hydrogen bonds involving at least three water molecules at the interface, the recoil of which allows one of the molecules to escape. The evaporation of water is thus enabled by concerted, ultrafast hydrogen-bond dynamics of interfacial water, and follows one specific molecular pathway.

报告人简介:
  Yuki Nagata is a group leader of the Max Planck Institute for Polymer Research in Mainz, Germany, where he has organized Surface Spectroscopy Theory group at Department of Molecular Spectroscopy since 2011. He obtained his PhD from Kyoto University, Japan in 2007 and sequentially joined BASF SE, Ludwigshafen as a scientific researcher. After two years stay in BASF, he moved to University of California, Irvine and studied the theoretical modelling of the surface-specific vibrational spectroscopy under the supervision of Shaul Mukamel (2009-2011). The central theme of his research focuses on the molecular dynamics modelling at aqueous interfaces.

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