skip to main content
DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Tailoring diesel bioblendstock from integrated catalytic upgrading of carboxylic acids: a “fuel property first” approach

Abstract

Abstract Lignocellulosic biomass offers the potential to produce renewable fuels at a scale commensurate with petroleum consumption. Hybrid approaches that combine biological and chemocatalytic processes have garnered increasing attention due to their flexibility for feedstock utilization and diversity of potential products. Of note, lignocellulosic sugars can be converted biologically to short-chain carboxylic acids, while subsequent chemocatalytic upgrading can elongate the carbon backbone and remove oxygen from the structure to produce drop-in hydrocarbon fuels. However, hybrid conversion processes are typically not designed with the fuel properties in mind a priori. In this work, we apply a “fuel property first” design approach to produce a tailored hydrocarbon bioblendstock with lower intrinsic sooting and drop-in diesel fuel potential. Initially, model predictions for six fuel properties critical to diesel applications (physicochemical requirements, energy content, safety considerations, autoignition ability, and sooting tendency) were used to screen an array of hydrocarbons accessible from upgrading individual and mixed C2/C4 acids. This screening step allowed for down-selection to a non-cyclic branched C14 hydrocarbon (5-ethyl-4-propylnonane) that can be synthesized from butyric acid through sequential catalytic reactions of acid ketonization, ketone condensation, and hydrodeoxygenation. Following evaluation of each conversion step with model compounds, butyric acid was then converted through anmore » integrated catalytic process scheme to achieve >80% overall carbon yield to a hydrocarbon mixture product containing >60% of the target C14 hydrocarbon. The potential of this conversion strategy to produce a hydrocarbon diesel bioblendstock from lignocellulosic biomass was then demonstrated using corn stover-derived butyric acid produced from Clostridium butyricum fermentation. Experimental fuel property testing of the purified C14 blendstock validated the majority of the fuel property model predictions, including <50% of the intrinsic sooting tendency when compared to conventional diesel. Meanwhile, the crude conversion product met fuel property target metrics, validating conversion process development. When the C14 bioblendstock was blended into a petroleum diesel at 20 vol.%, the blend maintained low cloud point, high energy density, and cetane number. Notably, the blend reduced sooting tendency by more than 10%, highlighting the potential of the tailored bioblendstock to reduce particulate emissions.« less

Authors:
 [1]; ORCiD logo [2];  [2]; ORCiD logo [2];  [2];  [1];  [1];  [2]; ORCiD logo [2]; ORCiD logo [2]; ORCiD logo [2]; ORCiD logo [2];  [2];  [3];  [4];  [4];  [4];  [5]; ORCiD logo [2]; ORCiD logo [2] more »; ORCiD logo [2]; ORCiD logo [2]; ORCiD logo [2] « less
  1. National Renewable Energy Lab. (NREL), Golden, CO (United States); Colorado School of Mines, Golden, CO (United States)
  2. National Renewable Energy Lab. (NREL), Golden, CO (United States)
  3. Univ. of Massachusetts, Lowell, MA (United States)
  4. Yale Univ., New Haven, CT (United States)
  5. Colorado School of Mines, Golden, CO (United States)
Publication Date:
Research Org.:
National Renewable Energy Lab. (NREL), Golden, CO (United States)
Sponsoring Org.:
USDOE Office of Energy Efficiency and Renewable Energy (EERE), Transportation Office. Bioenergy Technologies Office
OSTI Identifier:
1567033
Alternate Identifier(s):
OSTI ID: 1560696
Report Number(s):
NREL/JA-5100-74727
Journal ID: ISSN 1463-9262; GRCHFJ
Grant/Contract Number:  
AC36-08GO28308; EE0007983; DE347AC36-99GO10337
Resource Type:
Accepted Manuscript
Journal Name:
Green Chemistry
Additional Journal Information:
Journal Volume: 21; Journal Issue: 21; Journal ID: ISSN 1463-9262
Publisher:
Royal Society of Chemistry
Country of Publication:
United States
Language:
English
Subject:
09 BIOMASS FUELS; carboxylic acids; catalytic upgrading; diesel bioblendstock; low sooting potential; fuel property first

Citation Formats

Huo, Xiangchen, Huq, Nabila A., Stunkel, James J., Cleveland, Nicholas S., Starace, Anne K., Settle, Amy E., York, Allyson, Nelson, Robert S., Brandner, David, Fouts, Lisa A., St. John, Peter C., Christensen, Earl D., Luecke, Jon H., Mack, J. Hunter, McEnally, Charles S., Cherry, Patrick A., Pfefferle, Lisa D., Strathmann, Timothy J., Salvachua Rodriguez, Davinia, Kim, Seon Ah, McCormick, Robert L., Beckham, Gregg T., and Vardon, Derek R. Tailoring diesel bioblendstock from integrated catalytic upgrading of carboxylic acids: a “fuel property first” approach. United States: N. p., 2019. Web. doi:10.1039/C9GC01820D.
Huo, Xiangchen, Huq, Nabila A., Stunkel, James J., Cleveland, Nicholas S., Starace, Anne K., Settle, Amy E., York, Allyson, Nelson, Robert S., Brandner, David, Fouts, Lisa A., St. John, Peter C., Christensen, Earl D., Luecke, Jon H., Mack, J. Hunter, McEnally, Charles S., Cherry, Patrick A., Pfefferle, Lisa D., Strathmann, Timothy J., Salvachua Rodriguez, Davinia, Kim, Seon Ah, McCormick, Robert L., Beckham, Gregg T., & Vardon, Derek R. Tailoring diesel bioblendstock from integrated catalytic upgrading of carboxylic acids: a “fuel property first” approach. United States. doi:10.1039/C9GC01820D.
Huo, Xiangchen, Huq, Nabila A., Stunkel, James J., Cleveland, Nicholas S., Starace, Anne K., Settle, Amy E., York, Allyson, Nelson, Robert S., Brandner, David, Fouts, Lisa A., St. John, Peter C., Christensen, Earl D., Luecke, Jon H., Mack, J. Hunter, McEnally, Charles S., Cherry, Patrick A., Pfefferle, Lisa D., Strathmann, Timothy J., Salvachua Rodriguez, Davinia, Kim, Seon Ah, McCormick, Robert L., Beckham, Gregg T., and Vardon, Derek R. Tue . "Tailoring diesel bioblendstock from integrated catalytic upgrading of carboxylic acids: a “fuel property first” approach". United States. doi:10.1039/C9GC01820D. https://www.osti.gov/servlets/purl/1567033.
@article{osti_1567033,
title = {Tailoring diesel bioblendstock from integrated catalytic upgrading of carboxylic acids: a “fuel property first” approach},
author = {Huo, Xiangchen and Huq, Nabila A. and Stunkel, James J. and Cleveland, Nicholas S. and Starace, Anne K. and Settle, Amy E. and York, Allyson and Nelson, Robert S. and Brandner, David and Fouts, Lisa A. and St. John, Peter C. and Christensen, Earl D. and Luecke, Jon H. and Mack, J. Hunter and McEnally, Charles S. and Cherry, Patrick A. and Pfefferle, Lisa D. and Strathmann, Timothy J. and Salvachua Rodriguez, Davinia and Kim, Seon Ah and McCormick, Robert L. and Beckham, Gregg T. and Vardon, Derek R.},
abstractNote = {Abstract Lignocellulosic biomass offers the potential to produce renewable fuels at a scale commensurate with petroleum consumption. Hybrid approaches that combine biological and chemocatalytic processes have garnered increasing attention due to their flexibility for feedstock utilization and diversity of potential products. Of note, lignocellulosic sugars can be converted biologically to short-chain carboxylic acids, while subsequent chemocatalytic upgrading can elongate the carbon backbone and remove oxygen from the structure to produce drop-in hydrocarbon fuels. However, hybrid conversion processes are typically not designed with the fuel properties in mind a priori. In this work, we apply a “fuel property first” design approach to produce a tailored hydrocarbon bioblendstock with lower intrinsic sooting and drop-in diesel fuel potential. Initially, model predictions for six fuel properties critical to diesel applications (physicochemical requirements, energy content, safety considerations, autoignition ability, and sooting tendency) were used to screen an array of hydrocarbons accessible from upgrading individual and mixed C2/C4 acids. This screening step allowed for down-selection to a non-cyclic branched C14 hydrocarbon (5-ethyl-4-propylnonane) that can be synthesized from butyric acid through sequential catalytic reactions of acid ketonization, ketone condensation, and hydrodeoxygenation. Following evaluation of each conversion step with model compounds, butyric acid was then converted through an integrated catalytic process scheme to achieve >80% overall carbon yield to a hydrocarbon mixture product containing >60% of the target C14 hydrocarbon. The potential of this conversion strategy to produce a hydrocarbon diesel bioblendstock from lignocellulosic biomass was then demonstrated using corn stover-derived butyric acid produced from Clostridium butyricum fermentation. Experimental fuel property testing of the purified C14 blendstock validated the majority of the fuel property model predictions, including <50% of the intrinsic sooting tendency when compared to conventional diesel. Meanwhile, the crude conversion product met fuel property target metrics, validating conversion process development. When the C14 bioblendstock was blended into a petroleum diesel at 20 vol.%, the blend maintained low cloud point, high energy density, and cetane number. Notably, the blend reduced sooting tendency by more than 10%, highlighting the potential of the tailored bioblendstock to reduce particulate emissions.},
doi = {10.1039/C9GC01820D},
journal = {Green Chemistry},
number = 21,
volume = 21,
place = {United States},
year = {2019},
month = {8}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record

Citation Metrics:
Cited by: 2 works
Citation information provided by
Web of Science

Save / Share:

Works referenced in this record:

Cetane number determination of synthetic diesel fuels
journal, November 1992


Resonance-stabilized hydrocarbon-radical chain reactions may explain soot inception and growth
journal, September 2018


Catalytic routes for the conversion of biomass into liquid hydrocarbon transportation fuels
journal, January 2011

  • Serrano-Ruiz, Juan Carlos; Dumesic, James A.
  • Energy Environ. Sci., Vol. 4, Issue 1
  • DOI: 10.1039/C0EE00436G

Model-Based Design of Tailor-Made Biofuels
journal, February 2016


Alkane production from biomass: chemo-, bio- and integrated catalytic approaches
journal, December 2015


Integration of C–C coupling reactions of biomass-derived oxygenates to fuel-grade compounds
journal, February 2010

  • Gürbüz, Elif I.; Kunkes, Edward L.; Dumesic, James A.
  • Applied Catalysis B: Environmental, Vol. 94, Issue 1-2
  • DOI: 10.1016/j.apcatb.2009.11.001

Renewable Feedstocks: The Problem of Catalyst Deactivation and its Mitigation
journal, October 2015


Waste-to-Energy biofuel production potential for selected feedstocks in the conterminous United States
journal, February 2018

  • Skaggs, Richard L.; Coleman, André M.; Seiple, Timothy E.
  • Renewable and Sustainable Energy Reviews, Vol. 82
  • DOI: 10.1016/j.rser.2017.09.107

Catalytic upgrading of butyric acid towards fine chemicals and biofuels
journal, March 2016

  • Sjöblom, Magnus; Matsakas, Leonidas; Christakopoulos, Paul
  • FEMS Microbiology Letters, Vol. 363, Issue 8
  • DOI: 10.1093/femsle/fnw064

Heterogeneous Catalyst Deactivation and Regeneration: A Review
journal, February 2015


Prediction of Flash Points of Middle Distillates
journal, April 1956

  • Butler, R. M.; Cooke, G. M.; Lukk, G. G.
  • Industrial & Engineering Chemistry, Vol. 48, Issue 4
  • DOI: 10.1021/ie50556a041

Artificial neural network based predictions of cetane number for furanic biofuel additives
journal, October 2017


cis,cis-Muconic acid: separation and catalysis to bio-adipic acid for nylon-6,6 polymerization
journal, January 2016

  • Vardon, Derek R.; Rorrer, Nicholas A.; Salvachúa, Davinia
  • Green Chemistry, Vol. 18, Issue 11
  • DOI: 10.1039/C5GC02844B

Ketones from monocarboxylic acids: Catalytic ketonization over oxide systems
journal, August 1995


Estimation of flash point temperature
journal, February 1973


The environmental biorefinery: state-of-the-art on the production of hydrogen and value-added biomolecules in mixed-culture fermentation
journal, January 2018

  • Moscoviz, Roman; Trably, Eric; Bernet, Nicolas
  • Green Chemistry, Vol. 20, Issue 14
  • DOI: 10.1039/C8GC00572A

Artificial Neural Network Based Group Contribution Method for Estimating Cetane and Octane Numbers of Hydrocarbons and Oxygenated Organic Compounds
journal, October 2017

  • Kubic, William L.; Jenkins, Rhodri W.; Moore, Cameron M.
  • Industrial & Engineering Chemistry Research, Vol. 56, Issue 42
  • DOI: 10.1021/acs.iecr.7b02753

Bridging the Chemical and Biological Catalysis Gap: Challenges and Outlooks for Producing Sustainable Chemicals
journal, April 2014

  • Schwartz, Thomas J.; O’Neill, Brandon J.; Shanks, Brent H.
  • ACS Catalysis, Vol. 4, Issue 6
  • DOI: 10.1021/cs500364y

Aldol condensation of furfural and acetone on zeolites
journal, May 2014


Catalytic conversion of biomass to biofuels
journal, January 2010

  • Alonso, David Martin; Bond, Jesse Q.; Dumesic, James A.
  • Green Chemistry, Vol. 12, Issue 9, p. 1493-1513
  • DOI: 10.1039/c004654j

Reductions in Particulate and NO x Emissions by Diesel Engine Parameter Adjustments with HVO Fuel
journal, May 2012

  • Happonen, Matti; Heikkilä, Juha; Murtonen, Timo
  • Environmental Science & Technology, Vol. 46, Issue 11
  • DOI: 10.1021/es300447t

The Effects of Neat Biodiesel and Biodiesel and HVO Blends in Diesel Fuel on Exhaust Emissions from a Light Duty Vehicle with a Diesel Engine
journal, June 2015

  • Prokopowicz, Adam; Zaciera, Marzena; Sobczak, Andrzej
  • Environmental Science & Technology, Vol. 49, Issue 12
  • DOI: 10.1021/acs.est.5b00648

Role of Lewis and Brønsted Acid Sites in the Dehydration of Glycerol over Niobia
journal, August 2014

  • Foo, Guo Shiou; Wei, Daniel; Sholl, David S.
  • ACS Catalysis, Vol. 4, Issue 9
  • DOI: 10.1021/cs5006376

The Effect of Functional Groups in Bio-Derived Fuel Candidates
journal, April 2016

  • Jenkins, Rhodri W.; Moore, Cameron M.; Semelsberger, Troy A.
  • ChemSusChem, Vol. 9, Issue 9
  • DOI: 10.1002/cssc.201600159

Mixed Carboxylic Acid Production by Megasphaera elsdenii from Glucose and Lignocellulosic Hydrolysate
journal, March 2017


Role of computer-aided drug design in modern drug discovery
journal, July 2015

  • Macalino, Stephani Joy Y.; Gosu, Vijayakumar; Hong, Sunhye
  • Archives of Pharmacal Research, Vol. 38, Issue 9
  • DOI: 10.1007/s12272-015-0640-5

Production of renewable petroleum refinery diesel and jet fuel feedstocks from hemicellulose sugar streams
journal, January 2013

  • Olcay, Hakan; Subrahmanyam, Ayyagari V.; Xing, Rong
  • Energy Environ. Sci., Vol. 6, Issue 1
  • DOI: 10.1039/C2EE23316A

An overview of the organic and inorganic phase composition of biomass
journal, April 2012


In situ recovery of bio-based carboxylic acids
journal, January 2018

  • Saboe, Patrick O.; Manker, Lorenz P.; Michener, William E.
  • Green Chemistry, Vol. 20, Issue 8
  • DOI: 10.1039/C7GC03747C

Computer aided chemical product design – ProCAPD and tailor-made blended products
journal, August 2018


Multi-fuel surrogate chemical kinetic mechanisms for real world applications
journal, January 2018

  • Westbrook, Charles K.; Mehl, Marco; Pitz, William J.
  • Physical Chemistry Chemical Physics, Vol. 20, Issue 16
  • DOI: 10.1039/C7CP07901J

Measuring and predicting sooting tendencies of oxygenates, alkanes, alkenes, cycloalkanes, and aromatics on a unified scale
journal, April 2018


Economic analysis of wet waste-to-energy resources in the United States
journal, June 2019


Why Are Some Properties More Difficult To Predict than Others? A Study of QSPR Models of Solubility, Melting Point, and Log P
journal, December 2007

  • Hughes, Laura D.; Palmer, David S.; Nigsch, Florian
  • Journal of Chemical Information and Modeling, Vol. 48, Issue 1
  • DOI: 10.1021/ci700307p

Opportunities and challenges in biological lignin valorization
journal, December 2016


Computer-aided molecular design: An introduction and review of tools, applications, and solution techniques
journal, December 2016

  • Austin, Nick D.; Sahinidis, Nikolaos V.; Trahan, Daniel W.
  • Chemical Engineering Research and Design, Vol. 116
  • DOI: 10.1016/j.cherd.2016.10.014

Novel pathways for fuels and lubricants from biomass optimized using life-cycle greenhouse gas assessment
journal, June 2015

  • Balakrishnan, Madhesan; Sacia, Eric R.; Sreekumar, Sanil
  • Proceedings of the National Academy of Sciences, Vol. 112, Issue 25
  • DOI: 10.1073/pnas.1508274112

Highly Selective Condensation of Biomass-Derived Methyl Ketones as a Source of Aviation Fuel
journal, April 2015

  • Sacia, Eric R.; Balakrishnan, Madhesan; Deaner, Matthew H.
  • ChemSusChem, Vol. 8, Issue 10
  • DOI: 10.1002/cssc.201500002

ECNet: Large scale machine learning projects for fuel property prediction
journal, September 2017

  • Kessler, Travis; Hunter Mack, John
  • The Journal of Open Source Software, Vol. 2, Issue 17
  • DOI: 10.21105/joss.00401

Dual-bed catalyst system for C–C coupling of biomass-derived oxygenated hydrocarbons to fuel-grade compounds
journal, January 2010

  • Gürbüz, Elif I.; Kunkes, Edward L.; Dumesic, James A.
  • Green Chemistry, Vol. 12, Issue 2
  • DOI: 10.1039/b920369a

The mechanism and kinetics of methyl isobutyl ketone synthesis from acetone over ion-exchanged hydroxyapatite
journal, September 2018

  • Ho, Christopher R.; Zheng, Steven; Shylesh, Sankaranarayanapillai
  • Journal of Catalysis, Vol. 365
  • DOI: 10.1016/j.jcat.2018.07.005

A systematic methodology for design of tailor-made blended products
journal, July 2014


Novel Strategies for the Production of Fuels, Lubricants, and Chemicals from Biomass
journal, September 2017

  • Shylesh, Sankaranarayanapillai; Gokhale, Amit A.; Ho, Christopher R.
  • Accounts of Chemical Research, Vol. 50, Issue 10
  • DOI: 10.1021/acs.accounts.7b00354

Vapour-phase C–C coupling reactions of biomass-derived oxygenates over Pd/CeZrOx catalysts
journal, September 2009


Method for selection of solvents for promotion of organic reactions
journal, June 2005


Direct catalytic conversion of cellulose to liquid straight-chain alkanes
journal, January 2015

  • Op de Beeck, Beau; Dusselier, Michiel; Geboers, Jan
  • Energy & Environmental Science, Vol. 8, Issue 1
  • DOI: 10.1039/C4EE01523A

Ketonization of Carboxylic Acids: Mechanisms, Catalysts, and Implications for Biomass Conversion
journal, October 2013

  • Pham, Tu N.; Sooknoi, Tawan; Crossley, Steven P.
  • ACS Catalysis, Vol. 3, Issue 11
  • DOI: 10.1021/cs400501h

Kinetics, Selectivity, and Deactivation in the Aldol Condensation of Acetaldehyde on Anatase Titanium Dioxide
journal, January 2011

  • Rekoske, James E.; Barteau, Mark A.
  • Industrial & Engineering Chemistry Research, Vol. 50, Issue 1
  • DOI: 10.1021/ie100394v

BioCompoundML: A General Biofuel Property Screening Tool for Biological Molecules Using Random Forest Classifiers
journal, September 2016


A Quantitative Model for the Prediction of Sooting Tendency from Molecular Structure
journal, August 2017


Integrated catalytic sequences for catalytic upgrading of bio-derived carboxylic acids to fuels, lubricants and chemical feedstocks
journal, January 2017

  • Shylesh, Sankaranarayanapillai; Gokhale, Amit A.; Sun, Keyang
  • Sustainable Energy & Fuels, Vol. 1, Issue 8
  • DOI: 10.1039/C7SE00359E

Sooting tendencies of diesel fuels, jet fuels, and their surrogates in diffusion flames
journal, June 2017


Waste to bioproduct conversion with undefined mixed cultures: the carboxylate platform
journal, February 2011


Sooting Tendencies of Oxygenated Hydrocarbons in Laboratory-Scale Flames
journal, March 2011

  • McEnally, Charles S.; Pfefferle, Lisa D.
  • Environmental Science & Technology, Vol. 45, Issue 6
  • DOI: 10.1021/es103733q

Detailed Composition-Based Model for Predicting the Cetane Number of Diesel Fuels
journal, January 2006

  • Ghosh, Prasenjeet; Jaffe, Stephen B.
  • Industrial & Engineering Chemistry Research, Vol. 45, Issue 1
  • DOI: 10.1021/ie0508132

Metabolic engineering of Clostridium acetobutylicum for butyric acid production with high butyric acid selectivity
journal, May 2014


Catalytic Conversion of Biomass to Monofunctional Hydrocarbons and Targeted Liquid-Fuel Classes
journal, October 2008


A thermochemical–biochemical hybrid processing of lignocellulosic biomass for producing fuels and chemicals
journal, December 2015


Review of biodiesel composition, properties, and specifications
journal, January 2012

  • Hoekman, S. Kent; Broch, Amber; Robbins, Curtis
  • Renewable and Sustainable Energy Reviews, Vol. 16, Issue 1
  • DOI: 10.1016/j.rser.2011.07.143

Conversion of biomass platform molecules into fuel additives and liquid hydrocarbon fuels
journal, January 2014

  • Climent, Maria J.; Corma, Avelino; Iborra, Sara
  • Green Chemistry, Vol. 16, Issue 2
  • DOI: 10.1039/c3gc41492b

Stability, Lubricity, Viscosity, and Cold-Flow Properties of Alcohol−Diesel Blends
journal, August 2010

  • Lapuerta, Magín; García-Contreras, Reyes; Campos-Fernández, Javier
  • Energy & Fuels, Vol. 24, Issue 8
  • DOI: 10.1021/ef100498u

Chemical kinetics of hydrocarbon ignition in practical combustion systems
journal, January 2000


Flash Point and Cetane Number Predictions for Fuel Compounds Using Quantitative Structure Property Relationship (QSPR) Methods
journal, September 2011

  • Saldana, Diego Alonso; Starck, Laurie; Mougin, Pascal
  • Energy & Fuels, Vol. 25, Issue 9
  • DOI: 10.1021/ef200795j

Water-Tolerant Solid Acid Catalysts
journal, October 2002


Effects of Composition and Structure of Mg/Al Oxides on Their Activity and Selectivity for the Condensation of Methyl Ketones
journal, September 2016

  • Shylesh, Sankaranarayanapillai; Kim, Daeyoup; Gokhale, Amit A.
  • Industrial & Engineering Chemistry Research, Vol. 55, Issue 40
  • DOI: 10.1021/acs.iecr.6b03601

Direct upstream integration of biogasoline production into current light straight run naphtha petrorefinery processes
journal, September 2018


Selection Criteria and Screening of Potential Biomass-Derived Streams as Fuel Blendstocks for Advanced Spark-Ignition Engines
journal, March 2017

  • McCormick, Robert L.; Fioroni, Gina; Fouts, Lisa
  • SAE International Journal of Fuels and Lubricants, Vol. 10, Issue 2
  • DOI: 10.4271/2017-01-0868

A Review of Flash Point Prediction Models for Flammable Liquid Mixtures
journal, July 2014

  • Phoon, Li Yee; Mustaffa, Azizul Azri; Hashim, Haslenda
  • Industrial & Engineering Chemistry Research, Vol. 53, Issue 32
  • DOI: 10.1021/ie501233g

Heat release analysis for rapid compression machines: Challenges and opportunities
journal, January 2019

  • Goldsborough, S. Scott; Santner, Jeffrey; Kang, Dongil
  • Proceedings of the Combustion Institute, Vol. 37, Issue 1
  • DOI: 10.1016/j.proci.2018.05.128

A Novel Group Contribution Method for the Prediction of the Derived Cetane Number of Oxygenated Hydrocarbons
journal, August 2015


Challenges and opportunities in computer-aided molecular design
journal, October 2015


Cetane number vs. structure in paraffin hydrocarbons
journal, January 1998

  • Heck, Simone M.; Pritchard, Huw O.; Griffiths, John F.
  • Journal of the Chemical Society, Faraday Transactions, Vol. 94, Issue 12
  • DOI: 10.1039/a800861b

Lignin valorization through integrated biological funneling and chemical catalysis
journal, August 2014

  • Linger, J. G.; Vardon, D. R.; Guarnieri, M. T.
  • Proceedings of the National Academy of Sciences, Vol. 111, Issue 33, p. 12013-12018
  • DOI: 10.1073/pnas.1410657111

2016 Billion-Ton Report: Advancing Domestic Resources for a Thriving Bioeconomy
report, July 2016

  • Langholtz, M. H.; Stokes, B. J.; Eaton, L. M.
  • DOE/EE-1440
  • DOI: 10.2172/1271651

Microbial Electrosynthesis of Isobutyric, Butyric, Caproic Acids, and Corresponding Alcohols from Carbon Dioxide
journal, May 2018

  • Vassilev, Igor; Hernandez, Paula A.; Batlle-Vilanova, Pau
  • ACS Sustainable Chemistry & Engineering, Vol. 6, Issue 7
  • DOI: 10.1021/acssuschemeng.8b00739

Ketonization of carboxylic acids over CeO2-based composite oxides
journal, March 2005

  • Nagashima, Osamu; Sato, Satoshi; Takahashi, Ryoji
  • Journal of Molecular Catalysis A: Chemical, Vol. 227, Issue 1-2
  • DOI: 10.1016/j.molcata.2004.10.042

Catalytic valorization of the acetate fraction of biomass to aromatics and its integration into the carboxylate platform
journal, January 2019

  • Rozmysłowicz, Bartosz; Yeap, Jher Hau; Elkhaiary, Ahmed M. I.
  • Green Chemistry, Vol. 21, Issue 10
  • DOI: 10.1039/C9GC00513G

Model-Based Formulation of Biofuel Blends by Simultaneous Product and Pathway Design
journal, March 2017


Ketones from acid condensation using supported CeO2 catalysts: Effect of additives
journal, March 2007


Soot climate forcing via snow and ice albedos
journal, December 2003

  • Hansen, J.; Nazarenko, L.
  • Proceedings of the National Academy of Sciences, Vol. 101, Issue 2
  • DOI: 10.1073/pnas.2237157100

Bio-diesel as an alternative fuel for diesel engines—A review
journal, April 2009

  • Murugesan, A.; Umarani, C.; Subramanian, R.
  • Renewable and Sustainable Energy Reviews, Vol. 13, Issue 3
  • DOI: 10.1016/j.rser.2007.10.007

Key properties and blending strategies of hydrotreated vegetable oil as biofuel for diesel engines
journal, December 2011


Sooting tendencies of co-optima test gasolines and their surrogates
journal, January 2019

  • McEnally, Charles S.; Xuan, Yuan; St. John, Peter C.
  • Proceedings of the Combustion Institute, Vol. 37, Issue 1
  • DOI: 10.1016/j.proci.2018.05.071

Transformation of Biomass into Commodity Chemicals Using Enzymes or Cells
journal, August 2013


Applying thermodynamics to fossil fuels: Heats of combustion from elemental compositions
journal, January 1980

  • Lloyd, William G.; Davenport, Derek A.
  • Journal of Chemical Education, Vol. 57, Issue 1
  • DOI: 10.1021/ed057p56

Synergistic combustion of droplets of ethanol, diesel and biodiesel mixtures
journal, April 2012


Fatty acid methyl esters (FAMEs) from castor oil: Production process assessment and synergistic effects in its properties
journal, January 2010


Catalytic Upgrading of 5-Hydroxymethylfurfural to Drop-in Biofuels by Solid Base and Bifunctional Metal-Acid Catalysts
journal, November 2015


Catalytic coupling of carboxylic acids by ketonization as a processing step in biomass conversion
journal, August 2009

  • Gaertner, Christian A.; Serrano-Ruiz, Juan Carlos; Braden, Drew J.
  • Journal of Catalysis, Vol. 266, Issue 1, p. 71-78
  • DOI: 10.1016/j.jcat.2009.05.015

The impact of physicochemical property interactions of iso-octane/ethanol blends on ignition timescales
journal, July 2018


Kinetic modeling study of surrogate components for gasoline, jet and diesel fuels: C7-C11 methylated aromatics
journal, January 2019

  • Kukkadapu, Goutham; Kang, Dongil; Wagnon, Scott W.
  • Proceedings of the Combustion Institute, Vol. 37, Issue 1
  • DOI: 10.1016/j.proci.2018.08.016

Ketonization of acetic acid on titania-functionalized silica monoliths
journal, March 2004


Iodine-Catalyzed Isomerization of Dimethyl Muconate
journal, May 2018


Carbon-Increasing Catalytic Strategies for Upgrading Biomass into Energy-Intensive Fuels and Chemicals
journal, December 2017


Life cycle assessment of adipic acid production from lignin
journal, January 2018

  • Corona, Andrea; Biddy, Mary J.; Vardon, Derek R.
  • Green Chemistry, Vol. 20, Issue 16
  • DOI: 10.1039/C8GC00868J

Post-Fermentation Recovery of Biobased Carboxylic Acids
journal, October 2018


Production of jet and diesel fuel range alkanes from waste hemicellulose-derived aqueous solutions
journal, January 2010

  • Xing, Rong; Subrahmanyam, Ayyagari V.; Olcay, Hakan
  • Green Chemistry, Vol. 12, Issue 11
  • DOI: 10.1039/c0gc00263a