skip to main content

DOE PAGESDOE PAGES

This content will become publicly available on March 25, 2019

Title: Learning from the past: Are catalyst design principles transferrable between hydrodesulfurization and deoxygenation?

Authors:
 [1] ; ORCiD logo [1]
  1. Dept. of Chemical and Biomolecular Engineering, University of Houston, Houston TX 77204
Publication Date:
Grant/Contract Number:
SC0011983
Type:
Publisher's Accepted Manuscript
Journal Name:
AIChE Journal
Additional Journal Information:
Journal Name: AIChE Journal Journal Volume: 64 Journal Issue: 8; Journal ID: ISSN 0001-1541
Publisher:
Wiley Blackwell (John Wiley & Sons)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Country of Publication:
United States
Language:
English
OSTI Identifier:
1429534

Kasiraju, Sashank, and Grabow, Lars C. Learning from the past: Are catalyst design principles transferrable between hydrodesulfurization and deoxygenation?. United States: N. p., Web. doi:10.1002/aic.16151.
Kasiraju, Sashank, & Grabow, Lars C. Learning from the past: Are catalyst design principles transferrable between hydrodesulfurization and deoxygenation?. United States. doi:10.1002/aic.16151.
Kasiraju, Sashank, and Grabow, Lars C. 2018. "Learning from the past: Are catalyst design principles transferrable between hydrodesulfurization and deoxygenation?". United States. doi:10.1002/aic.16151.
@article{osti_1429534,
title = {Learning from the past: Are catalyst design principles transferrable between hydrodesulfurization and deoxygenation?},
author = {Kasiraju, Sashank and Grabow, Lars C.},
abstractNote = {},
doi = {10.1002/aic.16151},
journal = {AIChE Journal},
number = 8,
volume = 64,
place = {United States},
year = {2018},
month = {3}
}

Works referenced in this record:

Projector augmented-wave method
journal, December 1994

Synthesis of Transportation Fuels from Biomass: Chemistry, Catalysts, and Engineering
journal, September 2006
  • Huber, George W.; Iborra, Sara; Corma, Avelino
  • Chemical Reviews, Vol. 106, Issue 9, p. 4044-4098
  • DOI: 10.1021/cr068360d

From ultrasoft pseudopotentials to the projector augmented-wave method
journal, January 1999

Electron-energy-loss spectra and the structural stability of nickel oxide: An LSDA+U study
journal, January 1998
  • Dudarev, S. L.; Botton, G. A.; Savrasov, S. Y.
  • Physical Review B, Vol. 57, Issue 3, p. 1505-1509
  • DOI: 10.1103/PhysRevB.57.1505

Ab initiomolecular dynamics for liquid metals
journal, January 1993

A climbing image nudged elastic band method for finding saddle points and minimum energy paths
journal, December 2000
  • Henkelman, Graeme; Uberuaga, Blas P.; Jónsson, Hannes
  • The Journal of Chemical Physics, Vol. 113, Issue 22, p. 9901-9904
  • DOI: 10.1063/1.1329672

Historical Developments in Hydroprocessing Bio-oils
journal, May 2007
  • Elliott, Douglas C.
  • Energy & Fuels, Vol. 21, Issue 3, p. 1792-1815
  • DOI: 10.1021/ef070044u

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
journal, July 1996

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996

Synergies between Bio- and Oil Refineries for the Production of Fuels from Biomass
journal, September 2007
  • Huber, George W.; Corma, Avelino
  • Angewandte Chemie International Edition, Vol. 46, Issue 38, p. 7184-7201
  • DOI: 10.1002/anie.200604504

Effective hydrodeoxygenation of biomass-derived oxygenates into unsaturated hydrocarbons by MoO3 using low H2 pressures
journal, January 2013
  • Prasomsri, Teerawit; Nimmanwudipong, Tarit; Román-Leshkov, Yuriy
  • Energy & Environmental Science, Vol. 6, Issue 6, p. 1732-1738
  • DOI: 10.1039/c3ee24360e

A review of catalytic upgrading of bio-oil to engine fuels
journal, November 2011
  • Mortensen, P. M.; Grunwaldt, J.-D.; Jensen, P. A.
  • Applied Catalysis A: General, Vol. 407, Issue 1-2, p. 1-19
  • DOI: 10.1016/j.apcata.2011.08.046

Catalytic hydrodeoxygenation
journal, June 2000

Ab initio molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium
journal, May 1994