Theoretical modeling for interfacial catalysis

2021 ◽  
Author(s):  
Lingyun Zhou ◽  
Lingshu Zhuo ◽  
Ruming Yuan ◽  
Gang Fu
Keyword(s):  
Theoretical Modeling ◽  
Interfacial Catalysis

The role of ligands in electron transport in nanocrystal solids

Nanoscale ◽  
2020 ◽  
Vol 12 (45) ◽  
pp. 23028-23035
Author(s):  
Artem R. Khabibullin ◽  
Alexander L. Efros ◽  
Steven C. Erwin
Keyword(s):  
Electron Transport ◽  
Theoretical Modeling

Theoretical modeling of wavefunction overlap in nanocrystal solids elucidates the important role played by ligands in electron transport.

Hysteresis in spectral state transitions – a challenge for theoretical modeling

2005 ◽  
Vol 432 (1) ◽  
pp. 181-187 ◽  
Author(s):  
E. Meyer-Hofmeister ◽  
B. F. Liu ◽  
F. Meyer
Keyword(s):  
Theoretical Modeling ◽  
State Transitions ◽  
Spectral State

Epistemological Status of Models and Thought Experiments in Economics

2015 ◽  
pp. 123-140 ◽  
Author(s):  
O. Koshovets ◽  
T. Varkhotov
Keyword(s):  
Natural Science ◽  
Thought Experiment ◽  
Thought Experiments ◽  
Theoretical Modeling ◽  
Epistemological Status ◽  
Epistemological Analysis ◽  
Field Of Inquiry

The paper considers the analogy of theoretical modeling and thought experiment in economics. The authors provide historical and epistemological analysis of thought experiments and their relations to the material experiments in natural science. They conclude that thought experiments as instruments are used both in physics and in economics, but in radically different ways. In the natural science, a thought experiment is tightly connected to the material experimentation, while in economics it is used in isolation. Material experiments serve as a means to demonstrate the reality, while thought experiments cannot be a full-fledged instrument of studying the reality. Rather, they constitute the instrument of structuring the field of inquiry.

Theoretical modeling of the regular olivine intergrowths in the mimetic paramorphosis after ringwoodite and wadsleyite

2018 ◽  
pp. 3-12
Author(s):  
B. B. Shkursky
Keyword(s):  
Transition Zone ◽  
Theoretical Modeling ◽  
Mantle Transition Zone ◽  
Misorientation Angles

Theoretical modeling of regular olivine grains misorientations in mimetic paramorphoses after ringwoodite and wadsleyite, the formation of which during the ascension of matter from the Mantle Transition Zone is expected, has been carried out. The coordinates of the misorientation axes and the misorientation angles, characterizing 10 operations of alignment in the pair intergrowths of olivine grains, eight of which are twins, are calculated. Possible conditions for the formation of mimetic paramorphoses predicted here, and the chances of their persistence are discussed. The calculated orientations are compared with the known twinning laws of olivine.

Theoretical Modeling of AIDS Infections and Disease Persistence

2012 ◽  
Author(s):  
Issam A.W. Mohamed
Keyword(s):  
Theoretical Modeling ◽  
Disease Persistence

Modeling of Dynamic Loads on the Polished Rod of Pumping Unit in Case of Mulfunction of Rod Pump Operating

2014 ◽  
Vol 10 ◽  
pp. 95-101
Author(s):  
A.S. Topolnikov
Keyword(s):  
Multiphase Flow ◽  
Satisfactory Agreement ◽  
Model Simulation ◽  
Theoretical Modeling ◽  
Dynamic Loads ◽  
Plunger Pump ◽  
Proposed Model ◽  
Pumping Unit ◽  
Polished Rod

The paper presents the results of theoretical modeling of joined movement of pump rods and plunger pump and multiphase flow in a well for determination of dynamic loads on the polished rod of pumping unit. The specificity of the proposed model is the possibility of taking into account for complications in rod pump operating, such as leakage in valve steam, presence of gas and emulsion, incorrect fitting of plunger inside the cylinder pump. The satisfactory agreement of results of the model simulation with filed measurements are obtained.

Influence of room modes on low-frequency transients: Theoretical modeling and numerical predictions

2019 ◽  
Vol 448 ◽  
pp. 19-33
Author(s):  
Mirosław Meissner ◽  
Krzysztof Wiśniewski
Keyword(s):  
Low Frequency ◽  
Theoretical Modeling ◽  
Numerical Predictions

Interfacial catalysis by phospholipase A2: determination of the interfacial kinetic rate constants

Biochemistry ◽  
1991 ◽  
Vol 30 (29) ◽  
pp. 7283-7297 ◽  
Author(s):  
Otto G. Berg ◽  
Bao Zhu Yu ◽  
Joe Rogers ◽  
Mahendra Kumar Jain
Keyword(s):  
Phospholipase A2 ◽  
Rate Constants ◽  
Kinetic Rate ◽  
Kinetic Rate Constants ◽  
Interfacial Catalysis
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