Modeling the Non-Equilibrium Behavior of Chemically Reactive Atomistic Level Systems Using Steepest-Entropy-Ascent Quantum Thermodynamics
Predicting the kinetics of a chemical reaction is a challenging task, particularly for systems in states far from equilibrium. This work discusses the use of a relatively new theory known as intrinsic quantum thermodynamics (IQT) and its mathematical framework steepest-entropy-ascent quantum thermod...
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Virginia Tech
2013
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| Online Access: | http://hdl.handle.net/10919/24069 |