Lumped kinetic modelling and multivariate data analysis of propylene conversion over H-ZSM-5

  • Author / Creator
    Nie, Jinjun
  • The process of catalytic conversion of propylene over ZSM-5 zeolite catalyst in a plug-flow micro-reactor with continuous feed flow is studied under near atmospheric pressure and in the temperature range of 330°C to 450°C with gas hourly velocity from 110/hour to 300/hour. The reaction product is condensed and characterized by gas-phase GC, liquid-phase GC, offline FTIR, online FTIR, NIR and UV-Vis spectroscopy. The effects of space velocity and reaction temperature on the carbon number distribution, the yield of C1-C2 gases, C4 hydrocarbons, C5+ hydrocarbons and yield of aromatics are evaluated. The chemical species are lumped into C1-C2 light gas, propylene, propane, C4 hydrocarbons, C5+ hydrocarbons and aromatics and a lumped kinetic model is built with the kinetic parameters estimated by the experimental data. The prediction of concentrations of the chemical lumps by the built model shows a good agreement with the experimental data from extra experiments, which further validate the practice of the model prediction. Multivariate data analysis, which includes Principal Components Analysis and Hierarchical Clustering Analysis, is employed for analysis of the experimental data and also the offline and online spectra data for further understanding the process. The mapping of the spectra in relation to the reaction conditions is built and validated by the experimental tests. Algorithms of outlier detection and process control of the reaction process are proposed, as well as the application of this mapping with multivariate data analysis is proposed for future work.

  • Subjects / Keywords
  • Graduation date
    Spring 2013
  • Type of Item
  • Degree
    Master of Science
  • DOI
  • License
    This thesis is made available by the University of Alberta Libraries with permission of the copyright owner solely for non-commercial purposes. This thesis, or any portion thereof, may not otherwise be copied or reproduced without the written consent of the copyright owner, except to the extent permitted by Canadian copyright law.