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Prediction Of Fluid Viscosity Through Transient Molecular Dynamic Simulations, Jason Christopher Thomas
Prediction Of Fluid Viscosity Through Transient Molecular Dynamic Simulations, Jason Christopher Thomas
Theses and Dissertations
A novel method of calculating viscosity from molecular dynamics simulations is developed, benchmarked, and tested. The technique is a transient method which has the potential to reduce CPU requirements for many conditions. An initial sinusoidal velocity profile is overlaid upon the peculiar velocities of the individual molecules in an equilibrated simulation. The transient relaxation of this initial velocity profile is then compared to the corresponding analytical solution of the momentum equation by adjusting the viscosity-related parameters in the constitutive equation that relate the shear rate to the stress tensor. The newly developed Transient Molecular Dynamics (TMD) method was tested for …
Simulation Of A Tubular Solid Oxide Fuel Cell Stack Operating On Biomass Syn-Gas Using Aspen Plus, Wayne Doherty, Anthony Reynolds, David Kennedy
Simulation Of A Tubular Solid Oxide Fuel Cell Stack Operating On Biomass Syn-Gas Using Aspen Plus, Wayne Doherty, Anthony Reynolds, David Kennedy
Articles
A tubular solid oxide fuel cell (SOFC) stack is modelled and its operation on biomass syn-gas is investigated. The objective of this work is to develop a computer simulation model of a biomass gasification-SOFC (BG-SOFC) system capable of predicting performance under various operating conditions and using diverse fuels. The stack is modelled using Aspen Plus and considers ohmic, activation and concentration losses. It is validated against published data for operation on natural gas. Operating parameters such as fuel and air utilisation factor (Uf and Ua), current density (j) and steam to carbon ratio ( …
Simulation Of Corn Stover And Distillers Grains Gasification With Aspen Plus, Ajay Kumar, Hossein Noureddini, Yaşar Demirel, David Jones, Milford Hanna
Simulation Of Corn Stover And Distillers Grains Gasification With Aspen Plus, Ajay Kumar, Hossein Noureddini, Yaşar Demirel, David Jones, Milford Hanna
Yaşar Demirel Publications
A model was developed to simulate the performance of a lab‐scale gasifier and predict the flowrate and composition of product from given biomass composition and gasifier operating conditions using Aspen Plus software. Mass balance, energy balance, and minimization of Gibbs free energy during the gasification were applied to determine the product gas composition. Carbon conversion efficiency and tar content were provided to the model as inputs as these could not be predicted by the model based on minimization of Gibbs free energy. Experiments for validation of the model were performed on a lab‐scale fluidized bed gasifier using corn stover and …
Photocatalytic Reaction In Monolithic Optical Fiber Reactor With Inverse Opal Catalyst, Maoming Ren
Photocatalytic Reaction In Monolithic Optical Fiber Reactor With Inverse Opal Catalyst, Maoming Ren
LSU Doctoral Dissertations
The development of photocatalytic reactor is essential for the successful application of heterogeneous semiconductor in environmental study, which has been shown to be photoactive and effective to oxidate organic pollutant and photoreduce CO2 to useful compounds. In this dissertation, a monolithic optical fiber reactor (MOFR) coated with inverse opal titania, which uses optical fibers as light-transmitting conductor and support of catalyst, was developed for both photodegradation and photoreduction. 1,2-dichlorobenzene, a volatile organic compound (VOC), was selected as the organic pollutant. This configuration of reactor and catalyst provides a high surface area, enhances mass transfer within the catalyst, manipulates photons transmission …