In April 2016 Manchester eScholar was replaced by the University of Manchester’s new Research Information Management System, Pure. In the autumn the University’s research outputs will be available to search and browse via a new Research Portal. Until then the University’s full publication record can be accessed via a temporary portal and the old eScholar content is available to search and browse via this archive.

Reaction and Diffusion Simulations for Heterogeneously Catalysed Biodiesel Production

Davison, Thomas James

[Thesis]. Manchester, UK: The University of Manchester; 2014.

Access to files

Abstract

AbstractUniversity: The University of ManchesterName: Thomas J. DavisonDegree: PhDThesis Title: Reaction and Diffusion Simulations for Heterogeneously Catalysed Biodiesel ProductionYear: 2013This thesis covers the simulation and modelling of the transesterification of triglyceride oils to make biodiesel, using heterogeneous catalysts. Initially, data fitting was performed to fit overall kinetic rate equations to experimental data, ignoring diffusional behaviour. Additionally, experiments were undertaken to investigate the influence of feed ratio on the reaction kinetics. A single site mechanism with surface reaction as the rate limiting step was found to most closely match the experimental conversion profiles for the operating conditions studied. To incorporate diffusional behaviour into the modelling a multicomponent diffusion methodology was adapted for use within this system. To verify transport properties of the system and the suitability of this theoretical diffusion calculation, measurement of density and viscosity for a range of mixtures was undertaken, along with molecular dynamics simulation to produce diffusion coefficients. Finally, a novel algorithm was developed to simulate coupled diffusion and reaction within the pores of the catalyst and the subsequent bulk concentration changes this produced.

Bibliographic metadata

Type of resource:
Content type:
Form of thesis:
Type of submission:
Degree type:
Doctor of Philosophy
Degree programme:
PhD Chemical Engineering & Analytical Science
Publication date:
Location:
Manchester, UK
Total pages:
244
Abstract:
AbstractUniversity: The University of ManchesterName: Thomas J. DavisonDegree: PhDThesis Title: Reaction and Diffusion Simulations for Heterogeneously Catalysed Biodiesel ProductionYear: 2013This thesis covers the simulation and modelling of the transesterification of triglyceride oils to make biodiesel, using heterogeneous catalysts. Initially, data fitting was performed to fit overall kinetic rate equations to experimental data, ignoring diffusional behaviour. Additionally, experiments were undertaken to investigate the influence of feed ratio on the reaction kinetics. A single site mechanism with surface reaction as the rate limiting step was found to most closely match the experimental conversion profiles for the operating conditions studied. To incorporate diffusional behaviour into the modelling a multicomponent diffusion methodology was adapted for use within this system. To verify transport properties of the system and the suitability of this theoretical diffusion calculation, measurement of density and viscosity for a range of mixtures was undertaken, along with molecular dynamics simulation to produce diffusion coefficients. Finally, a novel algorithm was developed to simulate coupled diffusion and reaction within the pores of the catalyst and the subsequent bulk concentration changes this produced.
Thesis main supervisor(s):
Language:
en

Institutional metadata

University researcher(s):

Record metadata

Manchester eScholar ID:
uk-ac-man-scw:220329
Created by:
Davison, Thomas
Created:
27th February, 2014, 19:39:52
Last modified by:
Davison, Thomas
Last modified:
30th April, 2014, 14:39:28

Can we help?

The library chat service will be available from 11am-3pm Monday to Friday (excluding Bank Holidays). You can also email your enquiry to us.