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John K. Brennan - Publications

Affiliations: 
North Carolina State University, Raleigh, NC 
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34 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2023 Lee BH, Sakano MN, Larentzos JP, Brennan JK, Strachan A. A coarse-grain reactive model of RDX: Molecular resolution at the μm scale. The Journal of Chemical Physics. 158: 024702. PMID 36641383 DOI: 10.1063/5.0122940  0.311
2017 Rezlerova E, Zukal A, Cejka J, Siperstein FR, Brennan JK, Lisal M. Adsorption and Diffusion of C1 to C4 Alkanes in Dual-Porosity Zeolites by Molecular Simulations. Langmuir : the Acs Journal of Surfaces and Colloids. PMID 28689411 DOI: 10.1021/Acs.Langmuir.7B01772  0.383
2016 Ross RB, Aeschliman DB, Ahmad R, Brennan JK, Brostrom ML, Frankel KA, Moore JD, Moore JD, Mountain RD, Poirier DM, Thommes M, Shen VK, Schultz NE, Siderius DW, Smith KD. Adsorption, X-ray Diffraction, Photoelectron, and Atomic Emission Spectroscopy Benchmark Studies for the Eighth Industrial Fluid Properties Simulation Challenge. Adsorption Science & Technology : Interface Science For Advanced Materials & Technologies. 34: 13-41. PMID 27840543 DOI: 10.1177/0263617415619541  0.73
2016 Schultz NE, Ahmad R, Brennan JK, Frankel KA, Moore JD, Moore JD, Mountain RD, Ross RB, Thommes M, Shen VK, Siderius DW, Smith KD. The Eighth Industrial Fluids Properties Simulation Challenge. Adsorption Science & Technology : Interface Science For Advanced Materials & Technologies. 34: 3-12. PMID 27840542 DOI: 10.1177/0263617415619521  0.735
2016 Moore JD, Barnes BC, Izvekov S, Lísal M, Sellers MS, Taylor DE, Brennan JK. A coarse-grain force field for RDX: Density dependent and energy conserving. The Journal of Chemical Physics. 144: 104501. PMID 26979691 DOI: 10.1063/1.4942520  0.642
2015 Svoboda M, Brennan JK, Lísal M. Molecular dynamics simulation of carbon dioxide in single-walled carbon nanotubes in the presence of water: structure and diffusion studies Molecular Physics. 113: 1124-1136. DOI: 10.1080/00268976.2015.1005190  0.375
2014 Brennan JK, Lísal M, Moore JD, Izvekov S, Schweigert IV, Larentzos JP. Coarse-Grain Model Simulations of Nonequilibrium Dynamics in Heterogeneous Materials. The Journal of Physical Chemistry Letters. 5: 2144-9. PMID 26270506 DOI: 10.1021/Jz500756S  0.679
2014 Ross RB, Brennan JK, Frankel KA, Moore JD, Mountain RD, Ahmad R, Thommes M, Shen VK, Schultz NE, Siderius DW, Smith KD. Perfluorohexane adsorption in BCR-704 Faujasite zeolite benchmark studies for the seventh industrial fluid properties simulation challenge Fluid Phase Equilibria. 366: 141-145. DOI: 10.1016/J.Fluid.2013.12.025  0.722
2014 Larentzos JP, Brennan JK, Moore JD, Lísal M, Mattson WD. Parallel implementation of isothermal and isoenergetic Dissipative Particle Dynamics using Shardlow-like splitting algorithms Computer Physics Communications. 185: 1987-1998. DOI: 10.1016/J.Cpc.2014.03.029  0.647
2013 Rosch TW, Brennan JK, Izvekov S, Andzelm JW. Exploring the ability of a multiscale coarse-grained potential to describe the stress-strain response of glassy polystyrene. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 87: 042606. PMID 23679442 DOI: 10.1103/Physreve.87.042606  0.339
2012 Sirk TW, Slizoberg YR, Brennan JK, Lisal M, Andzelm JW. An enhanced entangled polymer model for dissipative particle dynamics. The Journal of Chemical Physics. 136: 134903. PMID 22482586 DOI: 10.1063/1.3698476  0.306
2011 Lísal M, Brennan JK, Bonet Avalos J. Dissipative particle dynamics at isothermal, isobaric, isoenergetic, and isoenthalpic conditions using Shardlow-like splitting algorithms. The Journal of Chemical Physics. 135: 204105. PMID 22128926 DOI: 10.1063/1.3660209  0.316
2011 Palmer JC, Moore JD, Roussel TJ, Brennan JK, Gubbins KE. Adsorptive behavior of CO2, CH4 and their mixtures in carbon nanospace: a molecular simulation study. Physical Chemistry Chemical Physics : Pccp. 13: 3985-96. PMID 21234499 DOI: 10.1039/C0Cp02281K  0.781
2011 Palmer JC, Moore JD, Brennan JK, Gubbins KE. Simulating local adsorption isotherms in structurally complex porous materials: A direct assessment of the slit pore model Journal of Physical Chemistry Letters. 2: 165-169. DOI: 10.1021/Jz1015668  0.772
2011 Palmer JC, Moore JD, Brennan JK, Gubbins KE. Adsorption and diffusion of argon in disordered nanoporous carbons Adsorption. 17: 189-199. DOI: 10.1007/S10450-010-9308-0  0.778
2011 Chennamsetty N, Bock H, Lísal M, Brennan JK. An Introduction to Coarse-Graining Approaches: Linking Atomistic and Mesoscales Process Systems Engineering. 6: 43-84. DOI: 10.1002/9783527631315.ch2  0.621
2010 Petrus P, Lísal M, Brennan JK. Self-assembly of lamellar- and cylinder-forming diblock copolymers in planar slits: insight from dissipative particle dynamics simulations. Langmuir : the Acs Journal of Surfaces and Colloids. 26: 14680-93. PMID 20795714 DOI: 10.1021/La102666G  0.304
2010 Petrus P, Lísal M, Brennan JK. Self-assembly of symmetric diblock copolymers in planar slits with and without nanopatterns: insight from dissipative particle dynamics simulations. Langmuir : the Acs Journal of Surfaces and Colloids. 26: 3695-709. PMID 19839566 DOI: 10.1021/La903200J  0.321
2010 Siperstein FR, Lísal M, Brennan JK. A molecular simulation study of adsorption of nitrogen and methane in titanium silicate (ETS-4) Collection of Czechoslovak Chemical Communications. 75: 145-164. DOI: 10.1135/Cccc2009102  0.331
2010 Moore JD, Palmer JC, Liu YC, Roussel TJ, Brennan JK, Gubbins KE. Adsorption and diffusion of argon confined in ordered and disordered microporous carbons Applied Surface Science. 256: 5131-5136. DOI: 10.1016/J.Apsusc.2009.12.071  0.758
2009 Lísal M, Brennan JK, Smith WR. Mesoscale simulation of polymer reaction equilibrium: Combining dissipative particle dynamics with reaction ensemble Monte Carlo. II. Supramolecular diblock copolymers. The Journal of Chemical Physics. 130: 104902. PMID 19292554 DOI: 10.1063/1.3079139  0.361
2009 Palmer JC, Brennan JK, Hurley MM, Balboa A, Gubbins KE. Detailed structural models for activated carbons from molecular simulation Carbon. 47: 2904-2913. DOI: 10.1016/J.Carbon.2009.06.037  0.744
2008 Heath Turner C, Brennan JK, Lísal M, Smith WR, Karl Johnson J, Gubbins KE. Simulation of chemical reaction equilibria by the reaction ensemble Monte Carlo method: a review† Molecular Simulation. 34: 119-146. DOI: 10.1080/08927020801986564  0.485
2007 Turner CH, Brennan JK, Lísal M. Replica Exchange for Reactive Monte Carlo Simulations† The Journal of Physical Chemistry C. 111: 15706-15715. DOI: 10.1021/Jp072655T  0.38
2007 Brennan JK, Rice BM, Lísal M. Simulating Polymorphic Phase Behavior Using Reaction Ensemble Monte Carlo The Journal of Physical Chemistry C. 111: 365-373. DOI: 10.1021/Jp0646170  0.36
2006 Lísal M, Brennan JK, Smith WR. Mesoscale simulation of polymer reaction equilibrium: combining dissipative particle dynamics with reaction ensemble Monte Carlo. I. Polydispersed polymer systems. The Journal of Chemical Physics. 125: 164905. PMID 17092137 DOI: 10.1063/1.2359441  0.307
2006 Lísal M, Brennan JK, Smith WR. Chemical reaction equilibrium in nanoporous materials: NO dimerization reaction in carbon slit nanopores. The Journal of Chemical Physics. 124: 64712. PMID 16483234 DOI: 10.1063/1.2171213  0.465
2004 Brennan JK, Lísal M, Gubbins KE, Rice BM. Reaction ensemble molecular dynamics: direct simulation of the dynamic equilibrium properties of chemically reacting mixtures. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 70: 061103. PMID 15697337 DOI: 10.1103/Physreve.70.061103  0.491
2004 Lisal M, Brennan JK, Smith WR, Siperstein FR. Dual control cell reaction ensemble molecular dynamics: a method for simulations of reactions and adsorption in porous materials. The Journal of Chemical Physics. 121: 4901-12. PMID 15332926 DOI: 10.1063/1.1782031  0.446
2004 Lísal M, Brennan JK, Smith WR, Siperstein FR. Dual control cell reaction ensemble molecular dynamics: A method for simulations of reactions and adsorption in porous materials Journal of Chemical Physics. 121: 4901-4912. DOI: 10.1063/1.1782031  0.341
2002 Turner CH, Brennan JK, Johnson JK, Gubbins KE. Effect of confinement by porous materials on chemical reaction kinetics Journal of Chemical Physics. 116: 2138-2148. DOI: 10.1063/1.1431590  0.591
2002 Brennan JK, Thomson KT, Gubbins KE. Adsorption of water in activated carbons: Effects of pore blocking and connectivity Langmuir. 18: 5438-5447. DOI: 10.1021/La0118560  0.753
2002 Turner C, Brennan JK, Pikunic J, Gubbins KE. Simulation of chemical reaction equilibria and kinetics in heterogeneous carbon micropores Applied Surface Science. 196: 366-374. DOI: 10.1016/S0169-4332(02)00074-0  0.763
2001 Brennan JK, Bandosz TJ, Thomson KT, Gubbins KE. Water in porous carbons Colloids and Surfaces a: Physicochemical and Engineering Aspects. 187: 539-568. DOI: 10.1016/S0927-7757(01)00644-6  0.751
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