Density functional studies relevant to methanol steam reforming

• المؤلف الرئيسي: Li, Xiang
• مؤلفون آخرون: Lim Kok Hwa
• التنسيق: Theses and Dissertations
• اللغة: English
• منشور في: 2013
• الموضوعات: DRNTU::Engineering::Chemical engineering
• الوصول للمادة أونلاين: http://hdl.handle.net/10356/51256

In this study, methanol steam reforming (MSR) on different catalytic surfaces (Cu, PdZn, Ir, Pd and Pt) have been systematically studied by density functional methods. The adsorption studies of relevant species for MSR indicate that adsorptions on Ir (100) surface are the most stable compared to the...