Title page for ETD etd-05122010-143528


Type of Document Master's Thesis
Author Lerkkasemsan, Nuttapol
URN etd-05122010-143528
Title Mechanistic Modeling of Biodiesel Production via Heterogeneous Catalysis
Degree Master of Science
Department Chemical Engineering
Advisory Committee
Advisor Name Title
Achenie, Luke E. K. Committee Chair
Agblevor, Foster Aryi Committee Member
Cox, David F. Committee Member
Keywords
  • stochastic modeling
  • deterministic modeling
  • free fatty acid esterification
  • Eley-Rideal
  • biodiesel
Date of Defense 2010-05-04
Availability unrestricted
Abstract
Biodiesel has emerged as a promising renewable and clean energy alternative to petrodiesel. While biodiesel has traditionally been prepared through homogeneous basic catalysis, heterogeneous acid catalysis has been investigated recently due to its ability to convert cheaper but high free fatty acid content oils such as waste vegetable oil while decreasing production cost. In this work, the esterification of free fatty acid over sulfated zirconia and activated acidic alumina in a batch reactor was considered. The models of the reaction over the catalysts were developed in two parts. First, a kinetic study was performed using a deterministic model to develop a suitable kinetic expression; the related parameters were subsequently estimated by numerical techniques. Second, a stochastic model was developed to further confirm the nature of the reaction at the molecular level. The esterification of palmitic acid obeyed the Eley-Rideal mechanism in which palmitic acid and methanol are adsorbed on the surface for SO4/ZrO2-550oC and AcAl2O3 respectively. The coefficients of determination of the deterministic model were 0.98, 0.99 and 0.99 for SO4/ZrO2-550oC at 40, 60 and 80oC respectively and 0.99, 0.98 and 0.96 for AcAl2O3 at the same temperature. The deterministic and stochastic models were in good agreement.
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