Toward Computational Design of Catalysts for CO2 Selective Reduction via Reaction Phase Diagram Analysis

2019 ◽  
Vol 2 (3) ◽  
pp. 1800200 ◽  
Author(s):  
Mengru Han ◽  
Xiaoyan Fu ◽  
Ang Cao ◽  
Chenxi Guo ◽  
Wei Chu ◽  
...  
Calphad ◽  
1994 ◽  
Vol 18 (4) ◽  
pp. 387-396 ◽  
Author(s):  
D.O. López ◽  
J. Van Braak ◽  
J.L.L. Tamarit ◽  
H.A.J. Oonk

Metals ◽  
2020 ◽  
Vol 10 (6) ◽  
pp. 784
Author(s):  
Fengman Shen ◽  
Xinguang Hu ◽  
Haiyan Zheng ◽  
Xin Jiang ◽  
Qiangjian Gao ◽  
...  

With the gradual depletion of high-quality iron-ore resources, ironmaking blast furnaces have gradually shifted to using high-content Al2O3 iron ore. Under this condition, the addition of MgO in the slag is adopted to alleviate operation problems caused by the high content of Al2O3. However, the proper value of the MgO/Al2O3 ratio for blast-furnace slag systems (Al2O3 = 8–25%) is not systematically studied. In this paper, we discuss the proper MgO/Al2O3 ratio on the basis of blast-furnace slag systems under different Al2O3 contents. On the basis of thermodynamics and phase-diagram analysis, it could be concluded that: (1) the MgO/Al2O3 ratio is not limited when Al2O3 in slag is less than 14%, (2) the MgO/Al2O3 ratio is required to be in the range of 0.40–0.50 when Al2O3 in the slag is 15–17%, and (3) the MgO/Al2O3 ratio should be 0.45–0.55 when Al2O3 in the slag is larger than 18%. The proper MgO/Al2O3 ratio value has been established in various industries, and it has achieved significant economic and social benefits.


2019 ◽  
Vol 21 (7) ◽  
pp. 4046-4052 ◽  
Author(s):  
Yulu Liu ◽  
Zhiyao Duan ◽  
Graeme Henkelman

Surface phase diagram for Pt3Mo indicating suitable conditions for CO oxidation.


2013 ◽  
Vol 19 (3) ◽  
pp. 618-642 ◽  
Author(s):  
Manuel A. Gómez

This paper analyzes the dynamics of an endogenous growth model with external habit formation and elastic labor supply. We first derive the conditions for the existence, uniqueness, and saddlepath stability of a feasible steady state with positive long-run growth. The global dynamics of the economy are characterized by phase-diagram analysis. Then we characterize the comparative static effects of shocks in preferences and production parameters analytically. The comparative dynamic effects of the shocks are characterized by phase-diagram analysis.


2008 ◽  
Vol 81 (1) ◽  
pp. 78-81 ◽  
Author(s):  
A. A. Kuznetsov ◽  
G. K. Semenova ◽  
A. Yu. Tsegel’skaya ◽  
M. Yu. Yablokova ◽  
V. G. Krasovskii

1996 ◽  
Vol 100 (8) ◽  
pp. 3248-3251 ◽  
Author(s):  
T. P. Russell ◽  
G. J. Piermarini ◽  
S. Block ◽  
P. J. Miller

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