Stephen J. Paddison

TL;DR: Theoretical Methodologies and Simulation Tools, and Poisson−Boltzmann Theory, and Phenomenology of Transport inProton-Conducting Materials for Fuel-CellApplications46664.2.1.

TL;DR: In this paper, the role of local chemistry of the hydrophilic side chains and its effect on the dissociation of the proton and eventual stableness is discussed in connection with their role in the conduction of protons in sulfonic acid-based polymer electrolyte membranes.

TL;DR: An ab initio molecular dynamics study is presented that reveals, for the first time, the microscopic mechanism of this high proton conductivity ineat liquid phosphoric acid.

TL;DR: In this article, short-side-chain (SSC) perfluorosulfonic acid ionomers of different ion exchange capacity, IEC, (Dow 840 and Dow 1150) are characterized with respect to water sorption, transport (proton conductivity, electroosmotic water drag and water diffusion), microstructure and visco-elastic properties as a function of temperature and degree of hydration.

TL;DR: The state of computational modelling of PFSA membranes has progressed sufficiently over the last decade to enable its use as a powerful predictive tool with which to guide the process of designing novel membrane materials for fuel cell applications.