https://scholars.lib.ntu.edu.tw/handle/123456789/611531
標題: | In silico screening of carbon-capture materials | 作者: | Lin L.-C. Berger A.H. Martin R.L. Kim J. Swisher J.A. Jariwala K. Rycroft C.H. Bhown A.S. Deem M.W. Haranczyk M. Smit B. LI-CHIANG LIN |
關鍵字: | Carbon dioxide;Coal;Fossil fuel power plants;Gas plants;Carbon dioxide capture and storage;Coal-fired power plant;Computational approach;Cost of electricity;Different structure;In-silico screening;Materials and process;Zeolitic imidazolate frameworks;Carbon capture;carbon dioxide;imidazole;imidazole derivative;silicon dioxide;zeolite;adsorption;article;chemical structure;chemistry;conformation;information science;isolation and purification;pressure;temperature;Adsorption;Carbon Dioxide;Imidazoles;Informatics;Models, Molecular;Molecular Conformation;Pressure;Silicon Dioxide;Temperature;Zeolites | 公開日期: | 2012 | 卷: | 11 | 期: | 7 | 起(迄)頁: | 633-641 | 來源出版物: | Nature Materials | 摘要: | One of the main bottlenecks to deploying large-scale carbon dioxide capture and storage (CCS) in power plants is the energy required to separate the CO2 from flue gas. For example, near-term CCS technology applied to coal-fired power plants is projected to reduce the net output of the plant by some 30% and to increase the cost of electricity by 60-80%. Developing capture materials and processes that reduce the parasitic energy imposed by CCS is therefore an important area of research. We have developed a computational approach to rank adsorbents for their performance in CCS. Using this analysis, we have screened hundreds of thousands of zeolite and zeolitic imidazolate framework structures and identified many different structures that have the potential to reduce the parasitic energy of CCS by 30-40% compared with near-term technologies. ? 2012 Macmillan Publishers Limited. All rights reserved. |
URI: | https://www.scopus.com/inward/record.uri?eid=2-s2.0-84862684553&doi=10.1038%2fnmat3336&partnerID=40&md5=ff1ebfa09621b2d99f179ae9be3d81b9 https://scholars.lib.ntu.edu.tw/handle/123456789/611531 |
DOI: | 10.1038/nmat3336 |
顯示於: | 化學工程學系 |
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