Models of Current Oscillations in Nanopores
- Author(s): Hyland, Brittany
- Advisor(s): Martens, Craig C.
- et al.
We continue the research presented in References (10; 11) towards developing a model of current oscillations in single, synthetic conical nanopores (12). We summarize the previously developed phenomenological model and present three new models based on treating the system as an equivalent circuit using an approach similar to that employed in References (6; 14; 15; 16; 17; 18). We compare experimental current time series, dwell time distributions, and phase space reconstruction to the same quantities for the simulation results and show that there is good qualitative and acceptable quantitative agreement between them.
We also describe a new approach to incorporating quantum effects into chemical reaction rate theory using quantum trajectories (19). Our development is based on the Entangled Trajectory Molecular Dynamics method for simulating quantum processes using trajectory integration and ensemble averaging (20; 21; 22; 23; 24; 25; 26; 27). Quantum corrections are incorporated analytically into the quantum rate expression using dynamical approximations similar to those underlying classical transition state theory (28; 29). We focus on a model of quantum decay in a metastable system and consider the deep tunneling limit where the classical rate vanishes and the process is entirely quantum mechanical. We compare our approximate estimate with the well-known WKB tunneling rate (7) and find qualitative agreement.