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 ◽  
...  
Keyword(s):  
Phase Diagram ◽  
Selective Reduction ◽  
Computational Design ◽  
Reaction Phase ◽  
Diagram Analysis

Thermodynamic phase diagram analysis of three binary systems shared by five neopentane derivatives

Calphad ◽  
1994 ◽  
Vol 18 (4) ◽  
pp. 387-396 ◽  
Author(s):  
D.O. López ◽  
J. Van Braak ◽  
J.L.L. Tamarit ◽  
H.A.J. Oonk
Keyword(s):  
Phase Diagram ◽  
Binary Systems ◽  
Thermodynamic Phase Diagram ◽  
Thermodynamic Phase ◽  
Diagram Analysis

scholarly journals Proper MgO/Al2O3 Ratio in Blast-Furnace Slag: Analysis of Proper MgO/Al2O3 Ratio Based on Observed Data

Metals ◽  
2020 ◽  
Vol 10 (6) ◽  
pp. 784
Author(s):  
Fengman Shen ◽  
Xinguang Hu ◽  
Haiyan Zheng ◽  
Xin Jiang ◽  
Qiangjian Gao ◽  
...  
Keyword(s):  
Phase Diagram ◽  
Blast Furnace ◽  
Blast Furnace Slag ◽  
Iron Ore ◽  
Social Benefits ◽  
Blast Furnaces ◽  
High Quality ◽  
Diagram Analysis ◽  
Furnace Slag

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.

scholarly journals Computational design of CO-tolerant Pt3M anode electrocatalysts for proton-exchange membrane fuel cells

2019 ◽  
Vol 21 (7) ◽  
pp. 4046-4052 ◽  
Author(s):  
Yulu Liu ◽  
Zhiyao Duan ◽  
Graeme Henkelman
Keyword(s):  
Phase Diagram ◽  
Fuel Cells ◽  
Co Oxidation ◽  
Proton Exchange Membrane ◽  
Computational Design ◽  
Proton Exchange ◽  
Surface Phase ◽  
Anode Electrocatalysts ◽  
Exchange Membrane

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

EQUILIBRIUM DYNAMICS IN AN ENDOGENOUS GROWTH MODEL WITH HABIT FORMATION AND ELASTIC LABOR SUPPLY

2013 ◽  
Vol 19 (3) ◽  
pp. 618-642 ◽  
Author(s):  
Manuel A. Gómez
Keyword(s):  
Phase Diagram ◽  
Labor Supply ◽  
Endogenous Growth ◽  
Growth Model ◽  
Habit Formation ◽  
Global Dynamics ◽  
Long Run ◽  
Endogenous Growth Model ◽  
Elastic Labor Supply ◽  
Diagram Analysis

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.

Interaction of diamines with benzoic acid without a solvent: IR study and 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
Keyword(s):  
Phase Diagram ◽  
Benzoic Acid ◽  
Ir Study ◽  
Diagram Analysis

Pressure, Temperature Reaction Phase Diagram for Ammonium Dinitramide

1996 ◽  
Vol 100 (8) ◽  
pp. 3248-3251 ◽  
Author(s):  
T. P. Russell ◽  
G. J. Piermarini ◽  
S. Block ◽  
P. J. Miller
Keyword(s):  
Phase Diagram ◽  
Temperature Reaction ◽  
Ammonium Dinitramide ◽  
Reaction Phase
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