Fuels and Petrochemicals Division
Core Programming Topic at the 2012 AIChE Annual Meeting
Pittsburgh, Pennsylvania, USA
28 October - 2 November 2012
ISBN: 978-1-62276-730-4
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TABLE OF CONTENTS
Biomasspyrolysisrefinery: A Two Step Approach for Liquid Energy Carrier Production From
Lignocellulose......................................................................................................................................................................... 1
Nikolaus Schwaiger, Hannes Pucher, Roland Feiner, Kerstin Zahel, Peter Pucher, Hartmuth Schröttner, Matthäus
Siebenhofer
Conversion of Organic Waste to Liquid Fuel by Pyrolysis Over Alumina Catalyst ........................................................ 3
Alessandro A. Casazza, Bahar Aliakbarian, Patrizia Perego, Guido Busca
Hydropyrolysis of Loblolly Pine to Produce a Low-Oxygen Pyrolysis Oil ....................................................................... 9
John R. Carpenter, Justin Farmer, Hua Song, David Dayton
Technoeconomic Analysis of Pyrolysis of Forest Residues............................................................................................... 10
Jose L. Carrasco, Nicole L. Hammer, Andrew McAloon, Akwasi A. Boateng, William J. Desisto, M. Clayton
Wheeler
Pilot Scale Production of Biocrude Oils From Biomass: Effect of Feedstock................................................................. 11
Ofei Mante, Foster Agblevor
Wet Torrefaction As a Pretreatment for Pyrolytic Bio-Oil Production From Microalgae............................................ 12
Zhenyi Du, Michael Mohr, Paul Chen, Roger Ruan
Inorganic Ligand-Stabilized CuInSe2 Nanocrystals Used in Photovoltaic Devices ........................................................ 13
C. Jackson Stolle, Matthew G. Panthani, Taylor B. Harvey, Vahid Akhavan, Brian A. Korgel
Molecular Simulations of Ligand-Capped Nanocrystals.................................................................................................. 14
Ananth P. Kaushik, Paulette Clancy
Nanocrystal Building Blocks in Photofunctional Superlattice Structures ...................................................................... 15
Joshua Choi, Kaifu Bian, Detlef Smilgies, Tobias Hanrath
Combinatorial Chemical Bath Deposition of Cd1-XZnxs for Thin Film Photovoltaics ................................................... 16
Kevin M. McPeak, Jason B. Baxter
Improved Performance of Earth-Abundant Cu2ZnSn(SxSe1-x)4 Solar Cells Through Ge Incorporation..................... 17
Charles Hages, Rakesh Agrawal
Charge Separation in Extremely Thin Absorber Solar Cells........................................................................................... 19
Hasti Majidi, Glenn W. Guglietta II, Leah C. Spangler, Jason B. Baxter
Study On Stability of Pyrolysis Bio-Oil From Torrefied Loblolly Pine .......................................................................... 20
Jiajia Meng, David Tilotta, Sushil Adhikari, Sunkyu Park
Intrinsic Chemistry of Biomass Pyrolysis for Biofuels: Primary and Secondary Reactions of Cellulose
Decomposition...................................................................................................................................................................... 21
Paul Dauenhauer
The Pyrolysis of Lignin ....................................................................................................................................................... 22
Raffaella Ocone, Mustafa Adam, Franco Berruti, Cedric Briens
Fast Pyrolysis of Biomass with Microwave Heating: A Preliminary Analysis with CFD Modeling ............................. 23
Fernanda C. Borges, Juliana Da S. Espindola, Lucas M. Raymundo, Luis Antônio R. Muniz, Marcelo Farenzena,
Jorge Otávio Trierweiler
Modeling of Pyrolysis and Boudouard Reactions of Various Coals, Biomasses and Coal-Biomass
Blends Using Thermogravimetric Analysis, Experimental Moving Bed Gasification System and Stable
Carbon Isotope Ratio Mass Spectroscopy ......................................................................................................................... 25
Venkata Abhijit Bhagavatula, Naresh Shah, Christopher Romanek, Gerald Huffman
Thermal Conversion of Lignin to Transportation Fuels and Chemicals Through Formate Assisted
Fast Pyrolysis ....................................................................................................................................................................... 27
Saikrishna Mukkamala, William J. Desisto, M. Clayton Wheeler, Adriaan Van Heiningen
Investigation of the Pyrolytic Decomposition Pathways of Lignin Model Compounds ................................................. 28
Michelle K. Kidder, A. C. Buchanan III
Graphene Aerogel-Based Counter Electrodes for Dye-Sensitized Solar Cells................................................................ 29
Wei-Yung Cheng, Chun-Chieh Wang, Shih-Yuan Lu
Graphene Metal Oxide Nanoassemblies for Dye-Sensitized Solar Cells ......................................................................... 30
Paul A. Charpentier, Nasrin Farhangi, Serge Ayissi
Dye-Sensitized Solar Cells Based On Vertically Ordered 1-D Nanostructures .............................................................. 31
Di Gao
Multiscale Anode Assemblies for Improving Efficiency and Versatility of Dye-Sensitized Solar Cells ....................... 32
Pisist Kumnorkaew, Midhun Joy, James F. Gilchrist, Mark A. Snyder
High-Efficiency Solid-State Dye-Sensitized Solar Cells Based On TiO2-Coated ZnO Nanowire Arrays..................... 33
Chengkun Xu, Jiamin Wu, Umang V. Desai, Di Gao
Modeling of Solid and Particulate Passivating Layers in Dye Sensitized Solar Cells .................................................... 34
Rocco Panella, B. Erik Ydstie, Dennis C. Prieve
Role of Metal Halides in Enhancing the Dehydration of Xylose to Furfural: A 1H and 13C NMR
Spectroscopy Study.............................................................................................................................................................. 35
Kristopher Enslow, Alexis T. Bell
Design of Solid Acid Catalysts for Aqueous Phase Dehydration of Carbohydrates: The Role of Lewis
and Brønsted Acid Sites ...................................................................................................................................................... 37
Ronen Weingarten, Joungmo Cho, Geoffrey A. Tompsett, Wm. Curtis Conner Jr., George W. Huber
One-Pot Homogeneous Synthesis of Furfural From High Purity Xylulose in Aqueous Media..................................... 38
Bin Li, Sasidhar Varanasi, Patricia Relue
Catalytic Conversion of Xylan to Value-Added Carboxylic Acids .................................................................................. 39
Hongfei Lin
Production of 5-Hydroxymethylfurfural From Glucose Using Water Compatible Lewis Acid Catalysts
in a Biphasic Reactor with an Alkylphenol Solvent .......................................................................................................... 40
Tianfu Wang, Jean Marcel Gallo, James A. Dumesic, Brent H. Shanks
Bi-Functional Catalysts: A Path to Improved Catalytic Performance for the Conversion of Biomass
Feedstocks ............................................................................................................................................................................ 41
Brandon J. O'Neill, Mei Chia, David Jackson, Thomas F. Kuech, James A. Dumesic
Polymer-Free near-Infrared Photovoltaic with Single Chirality (6,5) Semiconducting Carbon
Nanotube Active Layer........................................................................................................................................................ 42
Rishabh Jain, Rachel Howden, Kevin Tvrdy, Steven Shimizu, Andrew J. Hilmer, Tom McNicholas, Karen K.
Gleason, Michael S. Strano
Synthesis Routes of Phosphorous-Free Semiconducting Selenide Nanoparticles for Photovoltaic
Applications.......................................................................................................................................................................... 43
Bryce C. Walker, Steven McLeod, Bethlehem Negash, Rakesh Agrawal
Tuning the Structure of Titania Films with Orthogonally Aligned Cylindrical Nanopores for Bulk
Heterojunction Inorganic-Organic Solar Cells ................................................................................................................. 44
Suraj Nagpure, Stephen E. Rankin
Modification of PCBM Crystallization Via Incorporation of C60 in Polymer/Fullerene Solar Cells ............................ 45
Jeff Richards, Rainie Nelson, Danilo Pozzo
Template Stripped Metal Nanostructures for Photovoltaics............................................................................................ 46
Kevin M. McPeak, David J. Norris
Nanomanufacturing of Multicomponent Plasmonic Interfaces with Broadband Solar Absorption
Capability ............................................................................................................................................................................. 47
Tao Cong, Jennifer Amey, Peter Paynter, Radhakrishna Sureshkumar
One-Step Metal-Assisted Chemical Etching with Silver and Copper Nanoparticles for Nanopore-Type
Black Silicon Fabrication .................................................................................................................................................... 49
Yen-Tien Lu, Andrew R. Barron
Catalytic Valorization of Isosorbide As Versatile Renewable Platform Chemical......................................................... 50
Marcus Rose, Rebecca Pfützenreuter, Katharina Thenert, Regina Palkovits
Reaction of Sugar Derivatives On Metal Surfaces............................................................................................................ 51
Vassili Vorotnikov, Dionisios G. Vlachos
Acid-Catalyzed Conversion of Dimethylfuran to p-Xylene in Catalytic Zeolite-Y. A Combined
Computational and Experimental Study ........................................................................................................................... 52
Nima Nikbin, Phuong T. Do, Stavros Caratzoulas, Raul F. Lobo, Dionisios G. Vlachos
Economic Analysis of the Production of p-Xylene From 5-Hydroxymethyfurfural ...................................................... 53
Zhaojia Lin, Vladimiros Nikolakis, Marianthi G. Ierapetritou
Ethanol Conversion On ZrO2: The Role of Brönsted and Lewis Acidic Sites ................................................................ 55
Changjun Liu, Junming Sun, Colin Smith, Yong Wang
Enhancement of Aromatic Production From Bioethanol Dehydration Using Dual-Bed Catalytic
Systems ................................................................................................................................................................................. 57
Sak Saewong, Chatapong Wungtanagorn, Sirirat Jitkarnka
Catalytic Steam Reforming of Lower Alcohols to Hydrogen........................................................................................... 64
Umit S. Ozkan
Thermochemical Water Splitting for Iron Oxide Deposited On Zirconia and Zirconia- Doped Yttria....................... 65
Justin J. Dodson, Helena E. Hagelin-Weaver
Cr and Ce Doped Fe/Ce Catalysts for High Temperature Water Gas Shift Reaction................................................... 70
Krishna Reddy Gunugunuri, Panagiotis Smirniotis
Investigation of Cobalt Coordination Environment Under in-Situ Steam Reforming Conditions of
Bio-Derivable Liquids ......................................................................................................................................................... 71
I. Ilgaz Soykal, Hyuntae Sohn, Umit S. Ozkan
Enhanced Oxygen Mobility and Reactivity In Ethanol Steam Reforming ..................................................................... 72
Chengxi Zhang, Shuirong Li, Yongli Sun, Xinbin Ma, Jinlong Gong
Steam Reforming of Simulated Producer Gas Mixture Containing Toluene, Ethylene and Methane
Over Ni Catalyst .................................................................................................................................................................. 73
Ashish S. Bambal, Robert J. Cattolica
One Pot Synthesis of Lactic Acid From Sugars and Polyols ............................................................................................ 74
Xin Jin, Debdut S. Roy, Bala Subramaniam, Raghunath V. Chaudhari
Selective Oxidation of Diols Over Supported Pt Catalysts in Base-Free Aqueous Solution .......................................... 75
Matthew Ide, Robert J. Davis
Effect of Bi-Functional Catalysts in Producing High Quality Liquid Fuels From Renewable
Feedstocks ............................................................................................................................................................................ 76
Vamshi Krishna Guda, Hossein Toghiani, Rebecca K. Toghiani, Charles U. Pittman Jr.
Cogeneration of Electricity and Valuable Chemicals: Electrocatalytic Oxidation of Glycerol in AnionExchange Membrane Fuel Cell........................................................................................................................................... 77
Zhiyong Zhang, Le Xin, Zhichao Wang, Wenzhen Li
Catalytic Depolymerization of a Phenolic β-O-4 Model Compound in Ionic Liquids.................................................... 78
Dustin M. Veazey, Robert M. Rioux
Molecular Reaction Networks of Photocatalytic and Photochemical Reactions of Platform Phenolic
Compounds From Lignin.................................................................................................................................................... 79
Alexander Samokhvalov, Morgan Goldberg
Synthesis of Electroless Copper-Palladium Catalyst for Glycerol Hydrogenolysis........................................................ 80
Shannon Anderson, Egwu E. Kalu
High-Performance Supercapacitor and Li Ion Battery Electrodes Using Novel Ordered Mesoporous
Metal Oxide Materials......................................................................................................................................................... 86
Jinwoo Lee
3-D Graphenic Network Composites for High-Performance Li-Ion Battery Electrodes............................................... 87
Xin Zhao, Cary M. Hayner, Kai Han, Jung Kyoo Lee, Mayfair C. Kung, Harold H. Kung
High Energy Density Semiconductor-Carbon Nanotube Anodes for Lithium Ion Batteries ........................................ 88
Brian J. Landi, Roberta A. Dileo, Melissa Thone, Michael W. Forney, Alan Raisanen, Matthew J. Ganter, Jason
Staub, Reginald E. Rogers Jr.
Electrospun Nanofibers for Lithium Ion Batteries ........................................................................................................... 89
Nathaniel S. Hansen, Daehwan Cho, Kyoung Woo Kim, Jay Hoon Park, Brian Williams, Yong Lak Joo
Cobalt Oxide, Multi-Wall Carbon Nanotube Polymer Network for Lithium Ion Battery Anodes............................... 90
Joshua Hill, Yun Xu, Ling Fei, Yuling Li, Hongmei Luo
Hybrid Tin Oxide Nanotube Arrays As Anodes for Lithium Ion Batteries.................................................................... 91
Umang V. Desai, Di Gao
Facile Fabrication of Hollow TiO2 Nanoparticles As Safe Anode Materials for Lithium Ion Batteries ...................... 92
Jian Zhu, K. Y. Simon Ng, Da Deng
Catalytic Pyrolysis of Microalgae for High-Quality Bio-Oil Production ........................................................................ 93
Zhenyi Du, Michael Mohr, Roger Ruan, Paul Chen
Conversion of Ethyl Acetate Over Acid-Base Catalysts As a Model Reaction for Biooil Refining:
Infrared and Flow Reaction Studies................................................................................................................................... 94
Thanh Khoa Phung, Elisabetta Finocchio, Guido Busca
Kinetics of High Pressure Catalytic Reaction Pathways for Dihydroeugenol Over Pt/ZrO2 ...................................... 100
Sara L. Yohe, W. Nicholas Delgass, Fabio H. Ribeiro, Rakesh Agrawal
Aqueous-Phase Ketonization of Acetic Acid Over Ru/TiO2/Carbon Catalysts ............................................................ 101
T. N. Pham, Dachuan Shi, Daniel E. Resasco
Catalyst Screening for Upgrading Biomass Fast Pyrolysis Vapors ............................................................................... 102
Mark R. Nimlos, Calvin Mukarakate, Ryan M. Richards, David Robichaud
Deoxygenation of a Biofuel Model Compound (2-Methyltetrahydrofuran) On Transition Metal
Phosphides.......................................................................................................................................................................... 103
Phuong P. Bui, Juan A. Cecilia, S. Ted Oyama, Atsushi Takagaki, Antonia Infantes-Molina, Haiyan Zhao, Dan Li,
Enrique Rodriguez-Castellon, Antonio J. Lopez
Activity Relationships Between Aqueous Phase Reforming and the Water Gas Shift Reaction................................. 105
Paul J. Dietrich, Fred Sollberger, Mayank Shekhar, W. Damion Williams, Kaiwalya D. Sabnis, Aslihan Sumer,
Jullius Jellinek, W. Nicholas Delgass, Jeffrey T. Miller, Fabio H. Ribeiro
Steam Reforming of Ethanol Over Ru/Alumina: Effect of Temperature On Activity, Selectivity and
Carbon Laydown ............................................................................................................................................................... 106
Mohammad Bilal, S. David Jackson
Production of Hydrogen From Dimethyl Ether Over Promoted Bifunctional Catalysts............................................. 109
Changfeng Yan, Juan Li, Weimin Luo, Rongrong Hu, Zhiwei Yao, Changqing Guo, Wenbo Li
Combustion Synthesis of an Active Catalyst for Hydrogen Production From Ethanol: Activity and
EXAFS Studies................................................................................................................................................................... 116
Anand Kumar, Alexander S. Mukasyan, Eduardo E. Wolf
Advanced Reactors for Methane Steam Reforming ....................................................................................................... 117
Juray De Wilde, Philippe Eliaers, Gilbert F. Froment
Selective Electro-Oxidation of Glycerol to Glycolate On Au/CNT Catalysts ............................................................... 118
Zhiyong Zhang, Le Xin, Ji Qi, Zhichao Wang, Wenzhen Li
Cerium-Containing HZSM-5 Catalysts for Biomass Upgrading ................................................................................... 119
Gregory T. Neumann, Jason C. Hicks
Cycloaddition of Biomass Derived Furans for the Renewable Production of p-Xylene............................................... 120
Christopher L. Williams, Chun-Chih Chang, Phuong T. Do, Nima Nikbin, Stavros Caratzoulas, Dionisios G.
Vlachos, Raul F. Lobo, Wei Fan, Paul Dauenhauer
Understanding the Solvation of Fructose and 5-Hydroxymethylfurfural in Water - Dimethyl Sulfoxide
Mixtures Using Molecular Dynamics and Vibrational Spectroscopy............................................................................ 121
Vladimiros Nikolakis, Samir H. Mushrif, Stavros Caratzoulas, Bryon Herbert, Karl S. Booksh, Dionisios G.
Vlachos
Selective Liquid Phase Oxidation of Glycerol Using (Group I-B)-Pd Bimetallic Catalysts Prepared by
Electroless Deposition Method.......................................................................................................................................... 122
Abraham A. Rodriguez, Christopher T. Williams, John R. Monnier
Minimizing Humin Formation Via HMF Derivatization ............................................................................................... 123
Christian P. Canlas, Nicolas Grosso, Justin M. Notestein
Gold Supported On Nanocrystalline Metal Oxides Are Highly Effective Catalysts for the Oxidation of
Glucose Under Base-Free Conditions .............................................................................................................................. 124
Yuran Wang, Krishna K. Sharma, Yuriy Román-Leshkov
Optimal Simultaneous Production of Hydrogen and Liquid Fuels From Glycerol: Integrating the Use
of Biodiesel Byproducts..................................................................................................................................................... 125
Mariano Martín, Ignacio E. Grossmann
Coal Oxycombustion Flowsheet Optimization ................................................................................................................ 127
Alexander W. Dowling, Lorenz T. Biegler, David C. Miller
Computer-Aided Synthesis and Design of Working Fluid Mixtures for Organic Rankine Cycles............................. 128
Athanasios I. Papadopoulos, Mirko Z. Stijepovic, Patrick Linke, Panos Seferlis, Spyros S. Voutetakis
Optimization-Based Process Synthesis Framework for Thermochemical Conversion of Natural Gas to
Liquid Transportation Fuels (GTL) Systems .................................................................................................................. 130
Josephine A. Elia, Richard C. Baliban, Christodoulos A. Floudas
An Optimization-Based Technology Assessment Framework for Biofuel Production Strategies............................... 132
Sercan Murat Sen, Jiyong Kim, Christos T. Maravelias
Sustainable Design of Integrated Absorption Refrigeration Systems ........................................................................... 133
Luis Fernando Lira-Barragán, José María Ponce-Ortega, Medardo Serna-González, Mahmoud El-Halwagi
A Nanoscale Study of the Formation of the Solid Electrolyte Interphase in Li Ion Batteries ..................................... 142
Yanjing Chen, Mengyun Nie, Brett Lucht, Arijit Bose
Highly Ordered Mesoporous Materials As Potential Electrodes for Li-Ion Batteries ................................................. 143
Feng Jiao, Bryan Yonemoto, Gregory Hutchings
V2O5 Network Structure As Cathode for Lithium Ion Batteries ................................................................................... 144
Yun Xu, Marco Dunwell, Hongmei Luo
Polyaniline Nanofiber/Vanadium Pentoxide Layer-by-Layer Electrodes for Energy Storage ................................... 145
Lin Shao, Ju-Won Jeon, Jodie Lutkenhaus
Engineering Lixalysizo Ionic Conductive Thin Films by Atomic Layer Deposition for Lithium-Ion
Battery Applications.......................................................................................................................................................... 146
Ya-Chuan Perng, Jea Cho, Daniel Membreno, Nick Cirigliano, Bruce Dunn, Jane P. Chang
Mixed Hydrophobic Room Temperature Ionic Liquid Electrolytes for Rechargeable Lithium-Air
Battery ................................................................................................................................................................................ 147
Mahbuba Ara, Lixin Wang, Kapila Wadumesthrige, Steven O. Salley, K. Y. Simon Ng
Novel Graphene Supported Bifunctional Catalysts Combined with Ionic Liquid Electrolyte in
Rechargeable Lithium-Air Batteries for Prolong Cyclic Stability................................................................................. 148
Lixin Wang, Mahbuba Ara, Steven O. Salley, K. Y. Simon Ng
Effects of Carbon Sources, Oxygenation and Ethanol On the Production of Inulinase by K.
marxianusYX01 ................................................................................................................................................................. 149
Wenjie Yuan, Jiaoqi Gao
Effects of Solvent and Enzyme Source for Transesterification of Waste Oils .............................................................. 150
Michael Gagnon, Jonathan Fogel, Subhash Minocha, Palligarnai Vasudevan
Production of Renewable Fuel From Enhanced Activated Sludge Through a Fluidized-Bed Catalytic
Cracking (FCC) Process.................................................................................................................................................... 151
Emmanuel Revellame, William Holmes, Rafael Hernandez, W. Todd French
Transformative Catalytic Technology for Advanced Biofuel Production..................................................................... 152
Manhoe Kim, Like Yang, Steven O. Salley, K. Y. Simon Ng
Transesterification of Triglycerides for Biodiesel Over Selected Zeolite Catalysts...................................................... 153
Yu-Yuan Wang, Hsin-Yu Chou, Bing-Hung Chen
Hydrotreating of Soybean Oil Over NiMo Carbide Catalyst On Five Different Supports.......................................... 154
Huali Wang, Shuli Yan, Elvan Sari, Steven O. Salley, Simon K. Y. Ng
Microchannel Rapid Temperature Swing Adsorption of CO2 for Methane Production ............................................. 155
Kriston Brooks, Scot Rassat, Paul Humble
Solubilities of CO2 in Aqueous Solutions of Ionic Liquid and Monoethanolamine ...................................................... 156
Fan Xu, Haifeng Dong, Xiangping Zhang, Hongshuai Gao, Zhanli Wang, Suojiang Zhang, Baozeng Ren
A Nove Amino-Functionalized Ionic Liquid for CO2 Capture....................................................................................... 157
Jinzhi Zhang, Haifeng Dong, Xiangping Zhang
Assessing Anhydrous Tertiary Alkanolamines for Gas Purifications ........................................................................... 158
David J. Heldebrant, Paul M. Mathias, Kash Afshar, Satish Reddy, Arnold R. Smith, Rubin J. McDougal, Louis V.
Jasperson, Phillip K. Koech, Mark Bearden, Charles J. Freeman
Development of a Novel Carbonate Absorption Process with Crystallization-Enabled High Pressure
Stripping for Post-Combustion CO2 Capture: Kinetic Study of Bicarbonate Salt Crystallization ............................ 159
Qing Ye, Manoranjan Sahu, Yongqi Lu, Xinlei Wang
Doped Lithium Orthosilicate for Absorption of CO2 At Steam Atmosphere with Low CO2 Partial
Pressure .............................................................................................................................................................................. 160
Qi Zhang, Yang Liu, Qian Ye, Dongmei Sun, Zibin Zhu
Hydrogenation of Fast Pyrolysis Oils From Proteinaceous Biomass............................................................................. 168
Charles A. Mullen, Akwasi A. Boateng, Stephen Reichenbach
Biorefinery - Liquefaction of Pyrolysis Char .................................................................................................................. 169
Roland Feiner, Hannes Pucher, Nikolaus Schwaiger, Peter Pucher, Matthaeus Siebenhofer
Process Simulation of a Bi-Phasic Reaction: Hydrogenation of p-Hydroxybenzaldehyde .......................................... 171
C. E. Odafin, S. B. Gebreyohannes, T. N. Pham, Jimmy A. Faria, B. J. Neely, K. A. M. Gasem
Supercritical Upgrading of Algae Paste........................................................................................................................... 172
Klaus Hellgardt, Christian Richard, Bhavish Patel
Catalytic Conversion of Pinyon-Juniper Into Upgraded Biooils ................................................................................... 173
Bhuvanesh Kumar Yathavan, Foster Agblevor
Comparison of 1- and 2- Step Biodiesel Production From Activated Sludge Using Supercritical
Methanol and Economic Analysis .................................................................................................................................... 174
Adebola T. Coker, Rafael Hernandez, Emmanuel D. Revellame, William Todd French, Alexei V. Iretskii, William
Holmes, Mark G. White
Upgrading of Pyrolysis Oil by Hydroprocessing in a Packed Bed Flow Reactor ......................................................... 175
Venkata K. Penmetsa, Divya Parapati, Philip Steele
Rapid Fabrication of Binder-Free Multilayered Electrodes of Polyaniline Nanofibers and MultiWalled Carbon Nanotubes................................................................................................................................................ 176
Md Nasim Hyder, Yang Shao-Horn, Paula T. Hammond
Tunable 3-D MnO2/Graphene Composites for Next-Generation High Energy Density Supercapacitors.................. 177
Lixin Wang, Da Deng, K. Y. Simon Ng
The Electrocapacitive Properties of Organometallic Polymer/Multiwalled Carbon Nanotube Hybrids ................... 178
Xianwen Mao, Demetra Achilleos, Fritz Simeon, Gregory C. Rutledge, T. Alan Hatton
Activated Carbons Derived From Orange Peel Wastes As Electrode Materials In Electrochemical
Double Layer Capacitor.................................................................................................................................................... 179
Arenst Andreas Arie, Joong Kee Lee
Lignin Utilization in Production of Electrospun Carbon Nanofibers with Potential for Energy Storage
Applications........................................................................................................................................................................ 180
Chuilin Lai, Lifeng Zhang, Hao Fong, Lew P. Christopher
In-Situ Characterization of Transition Metal Nitrides for Supercapacitor Electrodes ............................................... 181
Priyanka Pande, Alice E. S. Sleightholme, Paul G Rasmussen, Aniruddha Deb, James Penner-Hahn, Levi T.
Thompson
Nanostructured Vanadium Nitride for Supercapacitor Applications ........................................................................... 183
Prashanth Jampani Hanumantha, Moni Kanchan Datta, Karan Kadakia, Dae Ho Hong, Michael C. Tam,
Ayyakkannu Manivannan, Prashant Kumta
Improvements in Bio-Butanol Separation by Adsorption: Adsorbent Screening, Kinetics and
Equilibrium ........................................................................................................................................................................ 184
Niloofar Abdehagh, F. Handan Tezel, Jules Thibault
100% Conversion of Waste Brown Grease to Biodiesel and Syngas As Valuable Products for Heat
and Power Cogeneration ................................................................................................................................................... 186
Shoucheng Du, Fabio Poretti, Iman Noshadi, Richard Parnas, George M. Bollas
Techno-Economic Analysis of Mixed Alcohol Production Through Hydrogenation of Volatile Fatty
Acids Derived From Seaweed ........................................................................................................................................... 190
Peyman Fasahati, J. Jay Liu
Flex Fuel Polygeneration: Optimizing Cost, Sustainability, and Resiliency ................................................................. 191
Matthew Kieffer, Tristan Brown, Robert C. Brown
Feed Flexible Process Optimization Model for Region Specific Sustainable Biorefining ............................................ 192
Sumesh Sukumara, Jeffrey R. Seay, Fazleena Badurdeen, William Faulkner, Joseph Amundson
Sustainable Design of Energy Supply Chains From P-Graphs: Cost, Ecological Footprint, and
Emergy ............................................................................................................................................................................... 193
Leisha Vance, Istvan Heckl, Botond Bertok, Heriberto Cabezas, Ferenc Friedler
Design Principles of Telluride-Based Nanowire Heterostructures for Thermoelectric Applications ......................... 194
Yue Wu
Excess Thermopower in Carbon Nanotubes Using Thermopower Waves ................................................................... 195
Joel T. Abrahamson, Bernat Sempere, Michael P. Walsh, Jared M. Forman, Sayalee G. Mahajan, Michael S.
Strano
First Principles Model for Predicting the Thermoelectric Properties of Complex Antimonides and
Oxides ................................................................................................................................................................................. 196
Maria Stoica, Alireza Faghaninia, Zhou Yu, Cynthia S. Lo
Characterizing Thermal Transport in Self Assembled Monolayer Junctions .............................................................. 197
Shubhaditya Majumdar, Scott N. Schiffres, Alan J. H. McGaughey, Jonathan A. Malen
Studies of Thermal Conductivity in Hybrid Organic-Inorganic Nanocrystal Superlattices ....................................... 198
Wee-Liat Ong, Sara Rupich, Dmitri Talapin, Alan J. H. McGaughey, Jonathan A. Malen
Nucleation and Accumulation Phenomena of Hydrate in Oil and Gas Pipelines ......................................................... 199
Esam I. Jassim
Calculating Dew Points for Natural Gas Containing Water and/or Selected Production Chemicals......................... 214
Eirini K. Karakatsani, Georgios Kontogeorgis
Development of Visualization Models for the Correlations Between Synthetic Jet Fuels Hydrocarbon
Structure and Their Properties ........................................................................................................................................ 219
Nimir O. Elbashir, Jahanur Abul Rahman
Combined Heat Transfer Coefficient and Bubble Dynamics Measurements in Bubble Columns:
Assessment of a Mechanistic Approach ........................................................................................................................... 221
Moses Kagumba, Parthasakha Neogi, Muthanna Al-Dahhan
High Capacity Methane Hydrates Based On Bio-Promoters......................................................................................... 222
Weixing Wang, Zhan Huang, Haoran Chen, Zhuyan Tan, Hong Wang, Xin Ying, Luyi Sun
Syngas Production by the SCR of Methane Over Ca-Ni/Mgal Catalyst for Gtl-FPSO ............................................... 223
Dong-Ju Moon, Yun Ju Lee, Eun-Hyeok Yang, Jin Hee Lee, Sang Deuk Lee, Arunabha Datta, Young Chul Kim,
Seung-Hwan Lee
Engineering and Industrial Development of Technologies for Conversion of Natural Gas Into
Efficient Motor Fuel .......................................................................................................................................................... 224
Lev Reznikov, Luke Sicard II, Victor Zents
Discrete Modeling of Void Porosity in Rock Cutting...................................................................................................... 225
Jorge A. Mendoza, Jeen-Shang Lin, Isaac K. Gamwo
Leveraged Process Development for Biomass to Ethanol............................................................................................... 226
Brandon Emme, M. Torry-Smith
The Ethics of Biofuels in a World of Nine Billion People ............................................................................................... 227
John J. Sheehan
Biobased Chemical Production Through a Generalized Technology Platform............................................................ 228
Brent H. Shanks
Progress Toward Sustainable Biofuels – Pilot-Scale Demonstration of Integrated Cellulosic Ethanol
Production .......................................................................................................................................................................... 229
Daniel J. Schell
Recovery of Hydrocarbons From Froth Treatment Tailings of Oil Sand Bitumen Processing .................................. 230
Yuming Xu, Jianmin Kan
Molecular Dynamics Simulations of Fly-Ash Based Geopolymers: Conformational Changes At High
Temperatures..................................................................................................................................................................... 231
Fernando A. Soto, Ancy Kunjumon, Kunal Kupwade-Patil, Erez Allouche, Daniela S. Mainardi
Effects of Farm Wastes Co-Digestion On Microbial Community, Methane Production, and Fiber
Quality As Biorefining Feedstock..................................................................................................................................... 232
Rui Chen, Fan Yang, Zhengbo Yue, James Maclellan, Terence L. Marsh, Yan Liu, Wei Liao
Continuous Hydrothermal Liquefaction of Livestock Waste Using a Plug-Flow Reactor .......................................... 233
Mitchell James Minarick
Aeration Induced pH Elevation of Anaerobically Digested Wastewater for Enhanced Ammonia
Stripping and Recovery..................................................................................................................................................... 234
Quanbao Zhao, Craig Frear
Aspen Simulation of Mobile Biomass to Liquid Facility – the Beauti-Fuel Concept ................................................... 235
Xinying Liu, Bilal Patel, Diane Hildebrandt, David Glasser
In-Situ PEFC Oxygen Sensing: An Ultra-Microelectrode Sensor with Oxygen Flux Interrupt
Measurements .................................................................................................................................................................... 236
William K. Epting, Shawn E. Litster
Achieving Ultra-High Platinum Utilization Via Optimization of PEM Fuel Cell Cathode Catalyst
Layer Microstructure........................................................................................................................................................ 237
Jeffrey Marquis, Marc-Olivier Coppens
Impact of Temperature On PEMFC Gas-Diffusion Layer Properties.......................................................................... 238
Anthony Kwong, Haluna Gunterman, Adam Weber
Water Management in a Seven-Layer Model of Proton Exchange Membrane Fuel Cell............................................ 240
Samaneh Rakhshanpouri, Soosan Rowshanzamir
Investigation of Cathode Contaminants within Microfluidic and Laminar-Flow Fuel Cells ...................................... 248
Matthew S. Naughton, Paul J. A. Kenis
Molybdenum Dioxide (MoO2)-Based Anode Fabrication and Its Performance Analysis for SOFC
Applications........................................................................................................................................................................ 249
Byeong Wan Kwon, Oscar Marin-Flores, Shuozhen Hu, M. Grant Norton, Su Ha
Predictive Modeling of Effective Conductivity in Infiltrated Solid-Oxide Fuel Cell Anodes ...................................... 250
Ryan C. Snyder, Michael D. Gross, Micheal J. Synodis
Spatially-Resolved Modeling of Oxygen Reduction Reaction Inside Polymer Electrolyte Fuel Cell
Cathode's Water-Filled Mesopore.................................................................................................................................... 251
Iryna V. Zenyuk, Shawn E. Litster
Incorporating a Size Distribution and Interfacial Oxygen Resistance Into a PEFC Agglomerate Model ................. 252
William K. Epting, Shawn E. Litster
Determination of a Biocarbon Fuel Cell Electrolyte Chemistry .................................................................................... 253
Maider Legarra Arizaleta, Ashley S. Blitz, Zsuzsanna Czégény, Michael J. Antal
Control of a Proton Exchange Membrane Fuel Cell, DC-DC Power Converter, an Ultracapacitor
System Using Sliding Mode Controls ............................................................................................................................... 254
James E. Smith
Nonlinear Analysis of Polymer Electrolyte Fuel Cell Voltage Instability Under Flooding Conditions ...................... 261
Michael Burkholder, Nick Siefert, Shawn E. Litster
Temperature Dynamics and Control of a Fuel Cell Stack System ................................................................................ 262
Daniel O'Keefe, Mohamed El-Sharkh, Srinivas Palanki
The Effect of Electron Donor On Microbial Fuel Cell Performance............................................................................. 263
Hao Wang, Donald Comfort, Piyush Shah, Andrew Sarangan, John Rowe
Dynamic Studies of a Polymer Electrolyte Membrane Fuel Cell (PEMFC) ................................................................. 264
Srinivasarao Modekurti, Debangsu Bhattacharyya, Srinivasan Raman, Raghunathan Rengasamy
Electrochemical Equipment Design for Hybrid Vehicles ............................................................................................... 265
Syed Kaschif Ahmed, Donald J. Chmielewski
Nanostructured Photosystem Composites As Biological Fuel Cell Catalysts ............................................................... 266
Ramaraja P. Ramasamy
Characterizing Anode Potential Losses in Microbial Fuel Cells Using Electrochemical Techniques......................... 267
César I. Torres, Sudeep C. Popat
Hydrothermal Carbonization of Lignocellulosic Biomass Using Salts .......................................................................... 269
Joan G. Lynam, M. Toufiq Reza, Md. Helal Uddin, Charles J. Coronella, Victor R. Vásquez
Water Soluble Pigments From Biomass for Energy Applications ................................................................................. 270
Maria Teresa Gutierrez-Wing, Asmita Phadke, Alfredo Prudente, Kelly A. Rusch
Carbon Negative Production of Hydrogen From Biomass Using an Alkaline Thermal Treatment:
Kinetic and Mechanistic Studies for the Investigation of the Reaction Pathways........................................................ 271
Camille Petit, Thomas Ferguson, Ah-Hyung Alissa Park
Recycle of Water and Nutrients Using Anaerobic Digestion of Algal Hydrolysate Obtained by Flash
Hydrolysis........................................................................................................................................................................... 272
Jose Garcia, Sandeep Kumar, James W. Lee
Evaluation of Food Waste and Paper-Cardboard Waste Blend for Biohydrogen and Methane
Production Using Mixed Microbial Consortia ................................................................................................................ 273
Brahmaiah Pendyala, Subba Rao Chaganti, Jerald. A. Lalman, Daniel D. Heath
Isolation of a Lignolytic Facultative Anaerobe From the Former Goldmine in Homestake, Lead,
South Dakota...................................................................................................................................................................... 277
Rajneesh Jaswal, Rajesh V. Shende, Anuradha Shende
High-Temperature Molecular Dynamics Simulations of Carbohydrates ..................................................................... 284
Jessica D. Murillo, Joseph J. Biernacki, Scott Northrup
Noble Metal-Based 1-Dimensional Nanomaterials in the Application of Direct Alcohol Fuel Cells........................... 285
Liang Su, Yixin Liu, Wenzhao Jia, Yu Lei
Nanoporous, Conducting, Electrocatalytically Active, 10nm Thick Core-Shell Au@Pt Nanoparticle
Bilayer Architectures for PEM Fuel Cell......................................................................................................................... 286
Ipshita Banerjee, Venugopal Santhanam, V. Kumaran
Ion Pair Reinforced Semi-Interpenetrating Polymer Networks for Fuel Cell Polymer Electrolyte
Membrane Design.............................................................................................................................................................. 287
Chunliu Fang, Liang Hong, Jim Yang Lee
Nanoscale Membrane Design Principles for Optimizing Proton Conductivity ............................................................ 288
David J. Keffer
Engine Performance of Biohydrocarbons Produced by Thermal Deoxygenation of Biomass Derived
Organic Acids..................................................................................................................................................................... 289
Scott Eaton, Bruce G. Bunting, Peter Van Walsum, M. Clayton Wheeler
Investigation of the Effect of Internals On Hydrodynamics in Bubble Column Reactors Using
Computed Tomography (CT) ........................................................................................................................................... 290
Mohammed Al Mesfer, Parthasakha Neogi, Muthanna Al-Dahhan
IC Engine Performance and Emissions Operating On Landfill Gas and Synthesis Gas ............................................. 291
Marcella Lusardi
Modeling of Surrogate Fuels with Real Components ..................................................................................................... 292
Philipp Mair-Zelenka, Thomas Wallek, Anton Reiter, Andreas Pfennig, Matthäus Siebenhofer
Surrogate Development for Cloud Point and Distillation Curve Modeling of Bio-Derived Fuel Blends.................... 293
Anne Lown, Lars Peereboom, Dennis J. Miller, Carl T. Lira
Modeling Properties of Biodiesel Blends.......................................................................................................................... 294
Sevana Baghdasarian, Sabyasachi Sen
Dependence of Electrochemical Performance On Anode Surface Roughness in Microbial Fuel Cells ...................... 295
Zhou Ye, Junbo Hou, Michael W. Ellis, Bahareh Behkam
A Review of the Alcohols-to-Gasoline Conversion Processes......................................................................................... 299
Fernando Resende
Tandem Hydroformylation-Hydrogenation of Olefins to Alcohols Using Supported Catalysts ................................. 300
Shylesh Pilla, David Hanna, Alexis T. Bell
Conversion of Bio-Derived Ethanol to Jet Fuel Range Hydrocarbon ........................................................................... 301
Karthikeyan K. Ramasamy, Yong Wang
Performance Characterization of Crude Oil Produced by Thermal Deoxygenation................................................... 302
Sedat H. Beis, Anna Hayden, Hemant P. Pendse, Peter Van Walsum, Diane L. Smith, M. Clayton Wheeler
Optimizing Immobilized Enzyme Performance in Cell-Free Environments to Produce Liquid Fuels ...................... 303
Joseph Grimaldi, Cynthia Collins, Georges Belfort
The Acetylation of Glycerol Over Solid Acid Catalysts: Catalytic Characteristics and Parameters
Optimization ...................................................................................................................................................................... 305
Adesina Adesoji Sr., Limin Zhou
Gasification Potential of Jatropha De-Oiled Resiude Cake ........................................................................................... 310
Rajeev Sharma, Pratik Sheth
Fundamentals of Electrochemical Energy Storage ......................................................................................................... 311
Sri Narayan
Materials Challenges of Electrochemical Energy Storage Technologies....................................................................... 312
Arumugam Manthiram
Promise and Challenges of Materials for Electrochemical Capacitors ......................................................................... 313
Prashant Kumta
Fundamentals for Designing Flow Batteries.................................................................................................................... 314
J. W. Van Zee, Karson Leperi, Victor Caldwell
Quantifying Solute-Solute Interactions in Flow-Battery-Membrane Transport.......................................................... 315
Lucas Griffith, Charles W. Monroe
Gas-Phase Visible Light Photocatalytic Activity of Flame Aerosol Synthesized Nanostructured
Transition Metal Modified TiO2 ....................................................................................................................................... 316
Siva Nagi Reddy Inturi, Makram Suidan, Panagiotis Smirniotis
Quantum Yield in a Photo-CREC Reactor for Hydrogen Production .......................................................................... 317
Salvador Escobedo Jr., Benito Serrano, Hugo De Lasa
Low-Temperature, Manganese Oxide-Based, Thermochemical Water Splitting Cycle .............................................. 320
Bingjun Xu, Mark E. Davis
Pyrite Oxidation in a Packed Bed Configuration............................................................................................................ 321
Edward Trujillo, Surya P. Sunkavalli
Experimental and Statistical Optimization of Chelant Assisted Extraction of Heavy Metals From
Bimetallic Spent Catalyst .................................................................................................................................................. 322
Garima Chauhan, K. K. Pant, K. D. P. Nigam
Formation of Disinfection by-Products in Ballast Water Chlorination Process........................................................... 323
Yue Ma, J. Paul Chen
Experimental Study of the Operating Parameters and Biodegradation Kinetic Model for Wastewater
Treatment In a Biological Fluidized Bed Reactor........................................................................................................... 324
Kun Hu, Weixing Huang, Zhenzhong Li, Kaiyuan Niu, Mengli Yu
A Future Energy Supply Based On Liquid Organic Hydrogen Carriers (LOHC) ...................................................... 334
Wolfgang Arlt, Peter Wasserscheid, Daniel Teichmann, Karsten Müller, Katharina Stark
Preparation of Biobased Jet Fuel Surrogates.................................................................................................................. 335
H. Nicholas Conkle, Grady M. Marcum, Eric W. Griesenbrock, Robert W. Morris Jr., Heinz J. Robota, David K.
Thomas
Production of Hydrocarbons by Catalytic Dehydration of Bio-Butanol (Mixture of 1-Butanol,
Acetone, and Ethanol) ....................................................................................................................................................... 341
Shaima Nahreen, Ram B. Gupta
Fischer-Tropsch Synthesis Using A PILOT Scale Fixed BED Compact HEAT Exchange Reactor........................... 342
Steven J. Vallee, Zhijun Jia, Hani Gadalla
Syngas Production by the SCR of Methane Over Ca-Ni/MgAl Catalyst ...................................................................... 343
Yun Ju Lee, Eun-Hyeok Yang, Jin Hee Lee, Arunabha Datta, Young Chul Kim, Dong Ju Moon
Effect of Hydrogen On Catalytic Decarboxylation of BROWN Grease to Green Diesel............................................. 345
Elvan Sari, Manhoe Kim, Steven O. Salley, K. Y. Simon Ng
Conversion of Fischer-Tropsch Light Hydrocarbons Over Ga-ZSM-5 to Assist in the Production of
Fuels.................................................................................................................................................................................... 346
Benjamin D. Harris
Coal and Biomass to Liquids and Power Generation Via Fischer-Tropsch Synthesis and Fuel Cells........................ 347
Julia Valla, Shoucheng Du, George M. Bollas
Extraction of Algal Oils From Wet Algae Under Subcritical Water Conditions.......................................................... 353
Harvind Kumar Reddy, Tapaswy Muppaneni, Sundaravadivelnathan Ponnusamy, Prafulla Dinkarrao Patil,
Shuguang Deng, Tanner Schaub, Barry Dungen, Francisco Holguin, Peter Lammers, Wayne Voorhies, Peter
Cooke
Supercritical CO2 Modified with Mixed-Polarity Azeotropic Solvents for Extraction of Lipids From
Algal Biomass..................................................................................................................................................................... 354
Prafulla Dinkarrao Patil, Harvind Reddy, Tapaswy Muppaneni, Peter Dailey, Tanner Schuab, Peter Cooke, Peter
Lammers, Shuguang Deng
Non Catalytic Transesterification of Non-Edible, Edible and Waste Cooking Oils Under Super
Critical Ethanol Conditions .............................................................................................................................................. 355
Tapaswy Muppaneni, Harvind Kumar Reddy, Prafulla Dinkarrao Patil, Sundaravadivelnathan Ponnusamy, Peter
Dailey, Shuguang Deng
CFD Modeling and Design of a Gravity Settler for Algae Dewatering ......................................................................... 356
Karl Scott, Scott Hug, Joanne Belovich, Jorge E. Gatica
Studies On a Micro-Thermophotovoltaic Device with a H2-NH3-Fueled Micro-Emitter ............................................ 359
Sang Ik Lee, Hu Wu, Dong Hyun Um, Oh Chae Kwon
Energy-Efficient Bio-Ethanol Recovery........................................................................................................................... 360
Neil Thomas Stacey, Aristoklis Hadjitheodorou, Diane Hildebrandt, David Glasser
Comparative Study of the Vanadium Redox Flow Battery Efficient Electrolyte Electro-Catalytic
Experiments and Simulation............................................................................................................................................. 362
Chun Yang, Chengming Zhao, Xiao-Feng Xie, Zongqiang Mao
A Mathematical Model of a Regenerative H2-Br2 Fuel Cell........................................................................................... 364
Venkata R. Yarlagadda, Trung V. Nguyen
Performance and Modeling of Convection Battery......................................................................................................... 365
Galen Suppes, Michael J. Gordon
Improved Cycle Life Performance of MnO2 Cathode and Zn Anode for Secondary Rechargeable
Alkaline Batteries .............................................................................................................................................................. 366
Nilesh D. Ingale, Joshua Gallaway, Michael Nyce, Tal Sholklapper, Daniel Steingart, Alexander Couzis, Sanjoy
Banerjee
Method for Measuring Gas Evolution of Lithium-Ion Battery Under Automotive Operation
Conditions .......................................................................................................................................................................... 367
Paul T. Yu, Rohit Makharia
Computational Study On Stability of Hybrid Nanostructures of Silicon and Multiwalled Carbon
Nanotubes As Lithium-Ion Battery Anode ...................................................................................................................... 368
Sameer Damle, Siladitya Pal, Rigved Epur, Prashant Kumta, Spandan Maiti
Impact of Carbon BET Pore Volume On Sulfur Cathode Capacity ............................................................................. 369
Galen Suppes, Donald Dornbusch
Electrodeposition As a Route Toward Fabrication of Three-Dimensional Electrochemical Energy
Storage Devices .................................................................................................................................................................. 370
Derek C. Johnson, Matthew T. Rawls, Amy L. Prieto
Author Index