Investigation of the Interaction of Polar Molecules on Graphite Surface: Prediction of Isosteric Heat of Adsorption at Zero Surface Coverage
The interactions of polar molecules with various orientations on graphite surface are calculated employing molecular simulation under static conditions in which the multiple-sites Lennard-Jones (LJ), electrostatic, and dipole induction potentials are considered. The Henry’s constant and the potentia...
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Main Authors: | Fan, Wu, Chakraborty, Anutosh |
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Other Authors: | School of Mechanical and Aerospace Engineering |
Format: | Article |
Language: | English |
Published: |
2017
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Subjects: | |
Online Access: | https://hdl.handle.net/10356/85795 http://hdl.handle.net/10220/43839 |
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Institution: | Nanyang Technological University |
Language: | English |
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