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First-principles-based Monte Carlo simulation of ethylene hydrogenation kinetics on Pd
Eric W. Hansen,
Matthew Neurock
Chemical Engineering and Materials Science
Research output
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Contribution to journal
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Article
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peer-review
128
Scopus citations
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Dive into the research topics of 'First-principles-based Monte Carlo simulation of ethylene hydrogenation kinetics on Pd'. Together they form a unique fingerprint.
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Physics
Simulation
100%
First-Principles
100%
Kinetics
100%
Monte Carlo
100%
Ethylene
100%
Hydrogen
25%
Calculation
12%
Activation Energy
12%
Pressure
6%
Sites
6%
Temperature
6%
Competition
6%
Adsorption
6%
Chemistry
First Principle
100%
Monte Carlo Method
100%
Kinetic Order
37%
Hydrogen
25%
Chemical Kinetics Characteristics
12%
Reaction Activation Energy
12%
Hydrogenation
12%
Adsorption
12%
Surface
6%
Simulation
6%
Size Effect
6%
Quantum Chemical Calculations
6%
Partial Pressure
6%
Ethyl
6%
Bond Order
6%
Adlayer
6%
Catalytic Kinetics
6%
Chemical Engineering
Hydrogenation
100%
Ethylene
100%
Hydrogen
25%
Temperature
6%