Statistical Mechanics, Molecular Simulation, and Supercapacitors Based on Nanotube Forests

Dr. Lawrence Pratt

Department of Chemical and Biomolecular Engineering
Tulane University

Abstract

  We exemplify and discuss the interplay between statistical mechanics and simulation in modern materials science with molecular simulations of the performance of super (or electrochemical) capacitors based on nanotube forests. Proposed nanotube supercapacitors should achieve energy densities comparable to batteries but with the conventional advantages of capacitors: reduced temperature sensitivity, longer cycle lifetimes, and faster charge-discharge times (thus higher power densities). These systems would offer a disruptive technological advance in regenerative energy capture in braking of automobiles or cranes. They would offer new electrical energy storage possibilities for distributed and intermittent wind and solar energy sources. These materials are molecularly complex, realistic theory does not exist, and large-scale molecular simulation will play an essential role. We will present the first results from simulation of these materials and compare with available experiments. We discuss theoretical issues raised by these simulations, and formulate a list of theoretical problems yet requiring resolution.

Tuesday, November 11th, 3:00pm
101 Stanley Thomas Hall
Tulane University, Uptown.

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