05/18/2022
By Sokny Long

The Francis College of Engineering, Department of Chemical Engineering, invites you to attend a Doctoral Dissertation Proposal defense by Fuat Sakirler on “Revealing molecular-level reaction pathways and kinetics of cellulose decomposition during its co-pyrolysis with lignin or molten polymers.”

Ph.D. Student: Fuat Sakirler
Proposal Defense Date: Wednesday, June 1, 2022
Time: 1 to 3 p.m.
Location: In person, at Perry Hall 415. There will also be a virtual defense via Zoom. Those interested in attending should contact fuat_sakirler@student.uml.edu and committee advisor, HsiWu_Wong@uml.edu, at least 24 hours prior to the defense to request access to the meeting.

Committee Chair (Advisor): Hsi-Wu Wong, Ph.D., Associate Professor, Department of Chemical Engineering, University of Massachusetts Lowell

Committee Members:

  • Fanglin Che, Ph.D., Assistant Professor, Department of Chemical Engineering, University of Massachusetts Lowell
  • Lawrence M. Wolf, Ph.D., Assistant Professor, Department of Chemistry, University of Massachusetts Lowell
  • Richard West, Ph.D., Associate Professor, Department of Chemical Engineering, Northeastern University

Brief Abstract: Production of renewable energy and chemicals from lignocellulosic biomass is projected to grow significantly in the coming decades with increased global concerns on the energy shortage and potentially environmental consequences caused by ever-increasing fossil fuel consumption. Fast pyrolysis is a promising thermochemical method to convert biomass feedstocks into biofuels or biomass-derived chemicals in a cost-effective and simple manner, but its product distribution is inherently non-selective due to its complex compositions, entangled reaction pathways, and multiphasic nature under pyrolysis conditions. In this dissertation, reaction pathways and kinetics of decomposition of cellulose, the main constituent of biomass, during its co-pyrolysis with lignin or molten polymers were investigated using quantum-chemistry via ab initio density functional theory. A new intramolecular hydroxyl-activated mechanism via concerted glycosidic bond cleavage was discovered for cellulose activation and subsequent depolymerization for levoglucosan formation. Investigation on the hydroxyl-activated mechanism during co-pyrolysis of cellulose and lignin further reveals that lignin functional groups containing hydrogen bond acceptors, such as ethers, hinder ß-1,4 glycosidic bond cleavage of cellulose, while lignin functional groups solely bearing hydrogen bond donors, such as alcohols, promote levoglucosan formation. Similar activation and inhibition mechanisms were also discovered for the co-pyrolysis of cellulose and molten polymers containing these functional groups. This new understanding of the co-pyrolysis behaviors enables building accurate kinetic models for cellulose co-pyrolysis with lignin or other synthetic polymers and manipulating reaction pathways for obtaining higher yields and selectivity towards desired products.

All interested students and faculty members are invited to attend the online defense via remote access.