Theory and simulation of jump dynamics, diffusion and phase equilibrium in nanopores

By S. Auerbach. 2000

142 citations recorded by the source corpus.

Subfields: Atomic and Molecular Physics, and Optics, Condensed Matter Physics, Spectroscopy

View Paper: https://www.semanticscholar.org/paper/8e679f6a770042f1cee2f7d62f88edf0bf6fe1df

How researchers see this paper

The researchers whose trusted networks rank it highest, strongest advocate first. Every researcher gets a different order.

In Atomic and Molecular Physics, and Optics

1. David Dubbeldam
2. Dionisios G. Vlachos
3. Randall Q. Snurr
4. Abhijit Chatterjee

In Condensed Matter Physics

1. David Dubbeldam
2. Dionisios G. Vlachos
3. Randall Q. Snurr
4. Abhijit Chatterjee

In Spectroscopy

1. Randall Q. Snurr
2. David Dubbeldam
3. Dionisios G. Vlachos
4. Abhijit Chatterjee

Citations in the corpus

• An overview of spatial microscopic and accelerated kinetic Monte Carlo methods (2007, methodology): “This key input to any KMC simulation can be extracted from smaller length and time scale simulation tools, such as density functional theory (DFT) [18,99–102] (these are often termed first principles KMC simulations), transition state identification methods, transition state theory (TST) [103,104], ”
• Recent developments in the molecular modeling of diffusion in nanoporous materials (2007, background): “In chemical engineering applications it is sometimes assumed that the corrected diffusion coefficient of particles under confinement is independent of loading [ 2 , 44 , 22 ].”