Tag: biofuel properties

Understanding how chemical structure affects ignition-delay-time φ-sensitivity, Richard A. Messerly, Jon H. Luecke, Peter C. St. John, Brian D. Etz, Yeonjoon Kim, Bradley T. Zigler, Robert L. McCormick, Seonah Kim, Combustion & Flame, 225, 377-387 (2021) [Online Article]

A perspective on biomass-derived biofuels: from catalyst design principles to fuel properties, Yeonjoon Kim, Anna E. Thomas, David J. Robichaud, Kristiina Iisa, Peter C. St. John, Brian D. Etz, Gina M. Fioroni, Abhijit Dutta, Robert L. McCormick, Calvin Mukarakate, Seonah Kim, J. Haz. Mat., 400, 5, 123198 (2020). [Online Article]

Elucidating the chemical pathways of soot precursor formation during combustion of 1- and 2-phenylethanol, Brian D. Etz, Gina M. Fioroni, Richard A. Messerly, Mohammad J. Rahimi, Peter C. St. John, David J. Robichaud, Earl D. Christensen, Brian P. Beekley, Charles S. McEnally, Lisa D. Pfefferle, Yuan Xuan, Shubham Vyas, Robert S. Paton, Robert L. McCormick, Seonah Kim, Proc. Comb. Inst. 2020 (in press). [Online Article] (In Press)

Investigation of structural effects of aromatic compounds on sooting tendency with mechanistic insight into ethylphenol isomers, Yeonjoon Kim, Brian D. Etz, Peter C. St. John, Gina M. Fioroni, Richard A. Messerly, Shubham Vyas, Brain P. Beekley, Facheng Guo, Charles S. McEnally, Lisa D. Pfefferle, Robert L. McCormick, Seonah Kim, Proc. Comb. Inst. 2020 (in press). [Online Article] (In Press)

Reactive Molecular Dynamics Simulations and Quantum Chemistry Calculations To Investigate Soot-Relevant Reaction Pathways for Hexylamine Isomers, Hyunguk Kwon, Brian D. Etz, Matthew J. Montgomery, Richard Messerly, Sharmin Shabnam, Shubham Vyas, Adri C. T. van Duin, Charles S. McEnally, Lisa D. Pfefferle, Seonah Kim, and Yuan Xuan, J. Phys. Chem. A, 124, 4290-4304 (2020) [Online Article]

Towards quantitative prediction of ignition-delay-time sensitivity on fuel-to-air equivalence-ratio, Richard A. Messerly, Mohammad J. Rahimi, Peter C. St. John, Jon H. Luecke, Ji-Woong Park, Nabila A. Huq, Thomas D. Foust, Tianfeng Lu, Bradley T. Zigler, Robert L. McCormick, Seonah Kim, Combustion and Flame, 214, 103-115 (2020). [Online Article]

Development of a data-derived sooting index including oxygen-containing fuel components, Peter St. John, Seonah Kim, Robert L. McCormick, Energy & Fuels, 33, 10, 10290-10296 (2019) [Online Article]

Performance-Advantaged Ether Diesel Bioblendstock Production by a priori Design, Nabila A. Huq, Xiangchen Huo, Glenn R. Hafenstine, Stephen M. Tifft, Jim Stunkel, Earl D. Christensen, Gina M. Fioroni, Lisa Fouts, Robert L. McCormick, Matthew R. Wiatrowski, Mary J. Biddy, Teresa L. Alleman, Raynella M. Connatser, Michael D. Kass, Patrick A. Cherry, Charles S. McEnally, Lisa D. Pfefferle, Peter St. John, Seonah Kim, Derek R. Vardon, 116 (52) 26421-26430, PNAS (2019). [Online Article]

Small ester combustion chemistry: Computational kinetics and experimental study of methyl acetate and ethyl acetate, Ahfaz Ahmed, William J.Pitz, Carlo Cavallotti, Marco Mehl, Nitin Lokachari, Elna J.K. Nilsson, Jui-Yang Wang, Alexander A. Konnov, Scott W. Wagnon, Bingjie Chen, Zhandong Wang, Seonah Kim, Henry J. Curran, Stephen J. Klippenstein, William L. Roberts, S. Mani Sarathy, Proc. Comb. Inst., 37, 1, 419-428 (2019) [Online Article]

Sooting tendencies of co-optima test gasolines and their surrogates, Charles S. McEnally, Yuan Xuan, Peter C. St. John, Dhrubajyoti D. Das, Abhishek Jain, Seonah Kim, Thomas A. Kwan, Lance K. Tan, Junqing Zhu, Lisa D. Pfefferle, Proc. Comb. Inst., 37, 1, 961-968 (2019) [Online Article]

Tailoring Diesel Bioblendstock from Integrated Catalytic Upgrading of Carboxylic Acids: A “Fuel Property First” Approach, Xiangchen Huo, Nabila A. Huq, Jim Stunkel, Nicholas S. Cleveland, Anne K. Starace, Amy E. Settle, Allyson M. York, Robert S. Nelson, David G. Brandner, Lisa Fouts, Peter C. St. John, Earl D. Christensen, Jon Luecke, J. Hunter Mack, Charles S. McEnally, Patrick A. Cherry, Lisa D. Pfefferle, Timothy J. Strathmann, Davinia Salvachúa, Seonah Kim, Robert L. McCormick, Gregg T. Beckham, Derek R. Vardon, Green Chem. 21, 5813-5827 (2019) [Online Article]

Experimental and theoretical study of oxidative stability of alkylated furans used as gasoline blend components, Earl Christensen, Gina M. Fioroni, Seonah Kim, Lisa Fouts, Erica Gjersing, Robert S. Paton, and Robert L. McCormick, Fuel, 576-585(2018). [Online Article]

Measuring and Predicting Sooting Tendencies of Oxygenates, Alkanes, Alkenes, Cycloalkanes, and Aromatics on a Unified Scale, Dhruhajyoti D. Das, Peter St. John, Charles S. McEnally, Seonah Kim, Lisa D. Pfefferle, Combustion and Flame, 190, 349-364 (2018). [Online Article]

Sooting tendencies of aromatic hydrocarbons with oxygen- containing side-chains, Brian P. Beekley, Charles S. McEnally, Peter C. St. John, Seonah Kim, Abhishek Jain, Hyunguk Kwon, Yuan Xuan, Lisa D. Pfefferle, ESSCI (Eastern States Section of the Combustion Institute) Spring 2018, Proceedings of the Combustion Institute. [Online Article]

A quantitative model for the prediction of sooting tendency from molecular structure, Peter C. St John, Paul Kairys, Dhrubajyoti D. Das, Charles S. McEnally, Lisa D. Pfefferle, David J. Robichaud, Mark R. Nimlos, Bradley T. Zigler, Robert L. McCormick, Thomas D. Foust, Yannick J. Bomble, and Seonah Kim†, Energy & Fuels, 31 (9), 9983-9990 (2017). [Online Article]

Understanding Trends in Autoignition of Biofuels: Homologous Series of Oxygenated C5 Molecules, Lintao Bu, Peter N. Ciesielski, David J. Robichaud, Seonah Kim, Robert L. McCormick, Thomas D. Foust, and Mark R. Nimlos, J. Phys. Chem. A, 127, 121, 5475-5486 (2017). [Online Article]