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Phase Field Model Of Thermally Induced Phase Separation (Tips) For The Formation Of Porous Polymer Membranes, Ashley Green, Aria Green
Phase Field Model Of Thermally Induced Phase Separation (Tips) For The Formation Of Porous Polymer Membranes, Ashley Green, Aria Green
Mechanical Engineering Undergraduate Honors Theses
Most membrane research and development has been done through experimental work, which can be costly and time consuming. An accurate computational model would greatly reduce the need for these experiments. The focus of the research presented in this paper is to create an accurate computational model for membrane formation using thermally induced phase separation (TIPS). A phase field model is employed to create this model including the Cahn Hilliard Equation and Flory Huggins Theory. This model produced computational results that correspond well with theoretical and experimental results. The model was then adapted to correspond to the PVDF/DPC polymer-solvent system by …
Ab Initio Studies Of Proton Transport In Proton Exchange Membranes, Jeffrey Keith Clark
Ab Initio Studies Of Proton Transport In Proton Exchange Membranes, Jeffrey Keith Clark
Doctoral Dissertations
A molecular-level understanding of the factors that contribute to transport properties of proton exchange membranes (PEMs) for fuel cell applications is needed to aid in the development of superior membrane materials. Ab initio electronic structure calculations were undertaken on various PEM ionomer fragments to explore the effects of local hydration, side chain connectivity, protogenic group separation, and specific side chain chemistry on proton dissociation and transfer at low hydration. Cooperative interactions between both intra- and inter-molecular acidic groups and hydrogen bond connectivity were found to enhance proton dissociation at very low degrees of hydration. The energetics associated with proton transfer …