Chemical Engineering Commons^™

Modeling Chemical Degradation And Proton Transport In Perfluorosulfonic Acid Ionomers, Milan Kumar

Doctoral Dissertations

The ionomer-membrane interface in a membrane electrode assembly connects the catalyst and membrane and allows hydrated protons to move between the catalyst and membrane. The continuous operation of the polymer membrane electrolyte fuel cell at high temperature and/or in frequent freeze/thaw cycles leads to membrane degradation and delamination of the interface, which lower the proton conductivity. In this dissertation, we modeled the chemical degradation and proton conductivity of perfluorosulfonic acid (PFSA) ionomers by ab initio calculations and macroscopic modeling. All ab initio calculations were performed using Gaussian 03 suites of program by employing B3LYP/6-311++G** method/basis set. The macroscopic modeling involves …

Dynamics Of Polymeric Solutions In Complex Kinematics Bulk And Free Surface Flows: Multiscale/Continuum Simulations And Experimental Studies, Arash Abedijaberi

Doctoral Dissertations

While rheological and microstructural complexities have posed tremendous challenges to researchers in developing first principles models and simulation techniques that can accurately and robustly predict the dynamical behaviour of polymeric flows, the past two decades have offered several significant advances towards accomplishing this goal. These accomplishments include: (1). Stable and accurate formulation of continuum-level viscoelastic constitutive models and their efficient implementation using operator splitting methods to explore steady and transient flows in complex geometries, (2). Prediction of rheology of polymer solutions and melts based on micromechanical models as well as highly parallel self-consistent multiscale simulations of non-homogeneous flows. The main …

Investigation Of Hydrodynamic Scaling Relationships In Shallow Spouted Beds, Irma Deytia Lima Rojas

Doctoral Dissertations

Important global hydrodynamic relationships for shallow spouted beds of high-density particles were characterized in terms of three features: minimum spouting velocity, overall bed pressure drop at minimum spouting velocity; and fountain height. Spouted bed literature is sparse for shallow beds (static particle depth to bed diameter ≤ 1) and beds with heavy particles (density > 3000 kg/m³). Correlations for such beds were developed here by varying column diameter, static bed height, particle diameter, particle density, gas density and gas flow in an ambient temperature and pressure bed.

The degree of correlation between each of the observed hydrodynamic features and …