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:生物柴油; 氧化钙; 锶掺杂; 甲醇吸附; 分子模拟
Abstract:借助分子模拟手段,研究了锶掺杂对氧化钙表面甲醇吸附行为的影响。构建了甲醇在CaO(100)和CaO(100)在Sr 表 面吸附的模型,计算了甲醇在氧化钙表面的吸附能和解离活化能,分析了甲醇在氧化钙表面成键的态密度以及锶掺杂前后甲醇在氧化钙表面电荷布局和差分电荷密度,评估了锶掺杂量对氧化钙表面甲醇吸附性能的影响。结果表明,锶掺杂能够显著强化氧化钙对甲醇的吸附性能,降低甲醇的解离活化能,且吸附性能随锶掺杂量的增加而增强;甲醇在氧化钙表面吸附时活化,锶掺杂后活化程度增加。
First Author:厉志鹏
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:2
Page Number:172-178
Translation or Not:no
Date of Publication:2020-02-01
Included Journals:EI
