TY - JOUR
T1 - Mesoscience in supported nano-metal catalysts based on molecular thermodynamic modeling
T2 - A mini review and perspective
AU - Wu, Nanhua
AU - Ji, Xiaoyan
AU - Li, Licheng
AU - Zhu, Jiahua
AU - Lu, Xiaohua
N1 - Publisher Copyright:
© 2020 Elsevier Ltd
PY - 2021/1/16
Y1 - 2021/1/16
N2 - Supported nano-metal catalysts are widely used in industrial processes. There is a trade-off between the activity and stability from mesoscale, which can be effectively tackled with the principle of compromise in competition (mechanisms A and B). To apply mesoscience methodology in this specific area, this work summarized research progress, where direct H2O2 synthesis was chosen as a typical case to identify and represent mechanism A (activity) and mechanism B (stability). It was found that mechanism A has been widely studied, while mechanism B still cannot reflect explosion. Subsequently, reaction heat and fusion enthalpy were proposed to represent mechanism B in this work, and the molecular thermodynamic model was identified as an effective tool for the study. A corresponding framework for mechanism B was constructed and the progress in developing the model for this particular purpose was provided. Finally, perspectives were discussed based on the linear non-equilibrium thermodynamics.
AB - Supported nano-metal catalysts are widely used in industrial processes. There is a trade-off between the activity and stability from mesoscale, which can be effectively tackled with the principle of compromise in competition (mechanisms A and B). To apply mesoscience methodology in this specific area, this work summarized research progress, where direct H2O2 synthesis was chosen as a typical case to identify and represent mechanism A (activity) and mechanism B (stability). It was found that mechanism A has been widely studied, while mechanism B still cannot reflect explosion. Subsequently, reaction heat and fusion enthalpy were proposed to represent mechanism B in this work, and the molecular thermodynamic model was identified as an effective tool for the study. A corresponding framework for mechanism B was constructed and the progress in developing the model for this particular purpose was provided. Finally, perspectives were discussed based on the linear non-equilibrium thermodynamics.
KW - Direct HO synthesis
KW - Fusion enthalpy
KW - Mesoscience
KW - Molecular thermodynamic model
KW - Principle of compromise in competition
UR - http://www.scopus.com/inward/record.url?scp=85091736090&partnerID=8YFLogxK
U2 - 10.1016/j.ces.2020.116164
DO - 10.1016/j.ces.2020.116164
M3 - 文章
AN - SCOPUS:85091736090
SN - 0009-2509
VL - 229
JO - Chemical Engineering Science
JF - Chemical Engineering Science
M1 - 116164
ER -