TY - JOUR
T1 - Reaction kinetics and pathways for phytol in high-temperature water
AU - Changi, Shujauddin
AU - Brown, Tylisha M.
AU - Savage, Phillip E.
N1 - Funding Information:
We thank Peter Valdez for his help in setting up the high temperature column on Agilent 7890N system for detecting oligomers. We acknowledge Jacob Dickinson for discussions involving the MATLAB coding. We gratefully acknowledge the financial support received from NSF Grant – EFRI 0937992 and the NSF AGEP Fellowship Program to carry out this work.
PY - 2012/5/1
Y1 - 2012/5/1
N2 - We examined the behavior of phytol, an acyclic diterpene C 20-alcohol and a model compound for algal biomass, in high-temperature water (HTW) at 513K, 543K, 573K, and 623K. Under these conditions, the major products include neophytadiene, isophytol, and phytone. The minor products include pristene, phytene, phytane, and dihydrophytol. Neophytadiene likely forms via dehydration of phytol, while isophytol can be obtained via an allylic rearrangement. We have quantified the molar yields of each product at the four temperatures, and the carbon recovery was greater than 90% for most cases. Phytol disappearance follows first order kinetics with an activation energy of 145±20kJ/mol and pre-exponential factor of 10 9.94±0.12s -1. Delplot analysis discriminated between primary and non-primary products and led to a potential set of reaction pathways. A kinetics model based on the proposed pathways was consistent with the experimental data.
AB - We examined the behavior of phytol, an acyclic diterpene C 20-alcohol and a model compound for algal biomass, in high-temperature water (HTW) at 513K, 543K, 573K, and 623K. Under these conditions, the major products include neophytadiene, isophytol, and phytone. The minor products include pristene, phytene, phytane, and dihydrophytol. Neophytadiene likely forms via dehydration of phytol, while isophytol can be obtained via an allylic rearrangement. We have quantified the molar yields of each product at the four temperatures, and the carbon recovery was greater than 90% for most cases. Phytol disappearance follows first order kinetics with an activation energy of 145±20kJ/mol and pre-exponential factor of 10 9.94±0.12s -1. Delplot analysis discriminated between primary and non-primary products and led to a potential set of reaction pathways. A kinetics model based on the proposed pathways was consistent with the experimental data.
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U2 - 10.1016/j.cej.2012.02.021
DO - 10.1016/j.cej.2012.02.021
M3 - Article
AN - SCOPUS:84861902019
SN - 1385-8947
VL - 189-190
SP - 336
EP - 345
JO - Chemical Engineering Journal
JF - Chemical Engineering Journal
ER -