牛胜利
Professor Supervisor of Doctorate Candidates Supervisor of Master's Candidates
Name (Simplified Chinese):牛胜利
Name (Pinyin):Niu Shengli
Date of Employment:2011-08-16
School/Department:核科学与能源动力学院
Education Level:Postgraduate (Doctoral)
Gender:Male
Degree:Doctoral Degree in Engineering
Status:Employed
Alma Mater:山东大学
Whether on the job:1
Discipline:Engineering Thermophysics
Thermal Power Engineering
Academic Honor:
Honors and Titles:
Hits:
Journal:燃料化学学报
Key Words:生物质再燃； 异相还原； 钠； 分子模拟； 动力学计算
Abstract:基于密度泛函理论和过渡态理论，在分子水平上对焦炭异相还原NO以及碱金属钠的影响机理进行探究。结合单点能的零点能校正以及过渡态的虚频验证，得出钠能够有效促进焦炭对于第一个NO分子的吸附。尽管钠不能改变反应步骤，但将焦炭异相还原NO决速步的活化能由121.04 kJ/mol降至100.62 kJ/mol。此外，动力学参数进一步表明钠的存在使焦炭异相还原NO的指前因子增大且反应速率加快，增加了焦炭边缘的活性位点，强化了焦炭对于NO的异相还原性能。
First Author:李颖
Indexed by:Journal paper
Correspondence Author:牛胜利*
Discipline:Engineering
First-Level Discipline:Power Engineering and Engineering Thermophysics
Document Type:J
Volume:48
Issue:6
Page Number:689-696
Translation or Not:no
Date of Publication:2020-06-01
Included Journals:EI
Attachments:
