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Title: Modeling the Kinetics of Deactivation of Catalysts during the Upgrading of Bio-Oil

Abstract

The fouling of catalysts for the upgrading of bio-oils appears to be very different from the fouling of catalysts for the hydroprocessing of petroleum-derived streams. There are two reasons for the differences: a) bio-oil contains polarizable components and phases that can stabilize reaction intermediates exhibiting charge separation and b) bio-oil components contain functional groups that contain O, notably carbonyls (>C=O). Aldol condensation of carbonyls affords very different pathways for the production of oligomeric, refractory deposits than does dehydrogenation/polymerization of petroleum-derived hydrocarbons. Colloquially, we refer to the bio-oil derived deposits as “gunk” to discriminate them from coke, the carbonaceous deposits encountered in petroleum refining. Classical gelation, appears to be a suitable model for the “gunking” reaction. Our work has helped explain the temperature range at which bio-oil should be pre-processed (“stabilized”) to confer longer lifetimes on the catalysts used for more severe processing. Stochastic modeling (kinetic Monte Carlo simulations) appears suitable to capture the rates of oligomerization of bio-oil. This work was supported by the US Department of Energy, Office of Energy Efficiency and Renewable Energy, Bioenergy Technologies Office. Pacific Northwest National Laboratory (PNNL) is a multiprogram national laboratory operated for DOE by Battelle.

Authors:
; ;
Publication Date:
Research Org.:
Pacific Northwest National Lab. (PNNL), Richland, WA (United States)
Sponsoring Org.:
USDOE
OSTI Identifier:
1171872
Report Number(s):
PNNL-SA-106604
BM0101010
DOE Contract Number:  
AC05-76RL01830
Resource Type:
Journal Article
Resource Relation:
Journal Name: Energy and Fuels, 29(1):273-277
Country of Publication:
United States
Language:
English
Subject:
biofuel processing; catalyst deactivation; bio-oil upgrading; Monte Carlo kinetics

Citation Formats

Weber, Robert S., Olarte, Mariefel V., and Wang, Huamin. Modeling the Kinetics of Deactivation of Catalysts during the Upgrading of Bio-Oil. United States: N. p., 2015. Web. doi:10.1021/ef502483t.
Weber, Robert S., Olarte, Mariefel V., & Wang, Huamin. Modeling the Kinetics of Deactivation of Catalysts during the Upgrading of Bio-Oil. United States. doi:10.1021/ef502483t.
Weber, Robert S., Olarte, Mariefel V., and Wang, Huamin. Sun . "Modeling the Kinetics of Deactivation of Catalysts during the Upgrading of Bio-Oil". United States. doi:10.1021/ef502483t.
@article{osti_1171872,
title = {Modeling the Kinetics of Deactivation of Catalysts during the Upgrading of Bio-Oil},
author = {Weber, Robert S. and Olarte, Mariefel V. and Wang, Huamin},
abstractNote = {The fouling of catalysts for the upgrading of bio-oils appears to be very different from the fouling of catalysts for the hydroprocessing of petroleum-derived streams. There are two reasons for the differences: a) bio-oil contains polarizable components and phases that can stabilize reaction intermediates exhibiting charge separation and b) bio-oil components contain functional groups that contain O, notably carbonyls (>C=O). Aldol condensation of carbonyls affords very different pathways for the production of oligomeric, refractory deposits than does dehydrogenation/polymerization of petroleum-derived hydrocarbons. Colloquially, we refer to the bio-oil derived deposits as “gunk” to discriminate them from coke, the carbonaceous deposits encountered in petroleum refining. Classical gelation, appears to be a suitable model for the “gunking” reaction. Our work has helped explain the temperature range at which bio-oil should be pre-processed (“stabilized”) to confer longer lifetimes on the catalysts used for more severe processing. Stochastic modeling (kinetic Monte Carlo simulations) appears suitable to capture the rates of oligomerization of bio-oil. This work was supported by the US Department of Energy, Office of Energy Efficiency and Renewable Energy, Bioenergy Technologies Office. Pacific Northwest National Laboratory (PNNL) is a multiprogram national laboratory operated for DOE by Battelle.},
doi = {10.1021/ef502483t},
journal = {Energy and Fuels, 29(1):273-277},
number = ,
volume = ,
place = {United States},
year = {Sun Jan 25 00:00:00 EST 2015},
month = {Sun Jan 25 00:00:00 EST 2015}
}