Accelerated molecular dynamics simulation of the thermal desorption of n -alkanes from the basal plane of graphite

Keyphrases

• Graphite 100%
• N-alkanes 100%
• Basal Plane 100%
• Chain Length 100%
• Thermal Desorption 100%
• Accelerated Molecular Dynamics Simulation 100%
• Pre-exponential Factor 60%
• Desorption 40%
• Temperature Programmed Desorption 40%
• Decane 40%
• Hexadecane 40%
• Alkanes 40%
• Increasing Chain 40%
• Pentane 40%
• Experimental Temperature 40%
• Temperature Range 20%
• Molecular Dynamics Simulation 20%
• Adsorption 20%
• Conformational Change 20%
• Peak Temperature 20%
• Adsorbed Molecules 20%
• Torsion 20%
• Low Coverage 20%
• Partial Loss 20%
• Tetradecane 20%
• Temperature Acceleration 20%
• Torsional Motion 20%
• Accelerated Molecular Dynamics 20%
• Desorption Study 20%
• Rotational Entropy 20%
• Dodecane 20%
• Translational Entropy 20%
• Coverage Limit 20%
• Desorption Activation Energy 20%
• Rigid Rod 20%
• Chain Molecules 20%
• Alkane Chain 20%

Chemistry

• Desorption 100%
• Molecular Dynamics 100%
• n-Alkane 100%
• Alkane 50%
• Pentane 33%
• Hexadecane 33%
• Decane 33%
• Reaction Activation Energy 16%
• Dodecane 16%
• Tetradecane 16%