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:化工学报
Key Words:生物柴油;钙铝二元复合物催化剂;吸附;掺杂改性;分子模拟
Abstract:借助分子模拟手段,研究了锌、镧、镁掺杂改性对钙铝基复合型金属氧化物催化酯交换的影响。构建了Al2O3(110)、CaO(100)以及锌、镧、镁掺杂改性的衍生模型。计算了不同改性氧化铝表面的掺杂结合能,分析了甲醇和乙酸甲酯在氧化钙及其衍生物表面的吸附过程,讨论了甲醇在Al2O3(110)及其衍生物表面的吸附过程及其Mulliken电荷密度的变化。结果表明,采用锌、镧、镁掺杂改性能强化钙铝复合型金属氧化物催化剂对甲醇的吸附性能,有助于催化酯交换反应的进行。
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:71
Issue:8
Page Number:3625-3632
Translation or Not:no
Date of Publication:2020-08-01
Included Journals:EI
Attachments:
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Next One:Halloysite nanotube functionalized with La-Ca bimetallic oxides as novel transesterification catalyst for biodiesel production with molecular simulation