Richard H West - Publications

Northeastern University, Boston, MA, United States 
Kinetics, Computational Modeling, Chemical Engineering

36 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
2024 Xu C, Mazeau EJ, West RH. Implementing the Blowers-Masel Approximation to Scale Activation Energy Based on Reaction Enthalpy in Mean-Field Microkinetic Modeling for Catalytic Methane Partial Oxidation. Acs Catalysis. 14: 8013-8029. PMID 38779181 DOI: 10.1021/acscatal.3c05436  0.34
2022 Johnson MS, Dong X, Grinberg Dana A, Chung Y, Farina D, Gillis RJ, Liu M, Yee NW, Blondal K, Mazeau E, Grambow CA, Payne AM, Spiekermann KA, Pang HW, Goldsmith CF, ... West RH, et al. RMG Database for Chemical Property Prediction. Journal of Chemical Information and Modeling. PMID 36222558 DOI: 10.1021/acs.jcim.2c00965  0.695
2021 Kreitz B, Sargsyan K, Blöndal K, Mazeau EJ, West RH, Wehinger GD, Turek T, Goldsmith CF. Quantifying the Impact of Parametric Uncertainty on Automatic Mechanism Generation for CO Hydrogenation on Ni(111). Jacs Au. 1: 1656-1673. PMID 34723269 DOI: 10.1021/jacsau.1c00276  0.78
2021 Liu M, Grinberg Dana A, Johnson MS, Goldman MJ, Jocher A, Payne AM, Grambow CA, Han K, Yee NW, Mazeau EJ, Blondal K, West RH, Goldsmith CF, Green WH. Reaction Mechanism Generator v3.0: Advances in Automatic Mechanism Generation. Journal of Chemical Information and Modeling. PMID 34048230 DOI: 10.1021/acs.jcim.0c01480  0.689
2019 Blondal K, Jelic J, Mazeau E, Studt F, West RH, Goldsmith CF. Computer-Generated Kinetics for Coupled Heterogeneous/Homogeneous Systems: A Case Study in Catalytic Combustion of Methane on Platinum Industrial & Engineering Chemistry Research. 58: 17682-17691. DOI: 10.1021/Acs.Iecr.9B01464  0.712
2019 Fuller ME, West RH, Goldsmith CF. A computational investigation into the combustion byproducts of a liquid monopropellant Proceedings of the Combustion Institute. 37: 5671-5677. DOI: 10.1016/J.PROCI.2018.05.175  0.254
2019 Panahi A, Sirumalla SK, West RH, Levendis YA. Temperature and oxygen partial pressure dependencies of the coal-bound nitrogen to NOx conversion in O2/CO2 environments Combustion and Flame. 206: 98-111. DOI: 10.1016/J.Combustflame.2019.04.015  0.4
2019 Slakman BL, West RH. Kinetic solvent effects in organic reactions Journal of Physical Organic Chemistry. 32. DOI: 10.1002/Poc.3904  0.456
2018 West RH, Goldsmith CF. The Impact of Roaming Radicals on the Combustion Properties of Transportation Fuels Combustion and Flame. 194: 387-395. DOI: 10.1016/J.Combustflame.2018.05.020  0.698
2018 Sirumalla SK, Mayer MA, Niemeyer KE, West RH. Assessing impacts of discrepancies in model parameters on autoignition model performance: A case study using butanol Combustion and Flame. 190: 284-292. DOI: 10.1016/J.Combustflame.2017.11.018  0.546
2017 Bhoorasingh PL, Slakman BL, Seyedzadeh Khanshan F, Cain JY, West RH. Automated Transition State Theory Calculations for High-Throughput Kinetics. The Journal of Physical Chemistry. A. PMID 28820268 DOI: 10.1021/Acs.Jpca.7B07361  0.515
2017 Goldsmith CF, West RH. Automatic Generation of Microkinetic Mechanisms for Heterogeneous Catalysis Journal of Physical Chemistry C. 121: 9970-9981. DOI: 10.1021/Acs.Jpcc.7B02133  0.75
2017 Han K, Green WH, West RH. On-the-fly pruning for rate-based reaction mechanism generation Computers & Chemical Engineering. 100: 1-8. DOI: 10.1016/J.Compchemeng.2017.01.003  0.799
2017 Fridlyand A, Johnson MS, Goldsborough SS, West RH, McNenly MJ, Mehl M, Pitz WJ. The role of correlations in uncertainty quantification of transportation relevant fuel models Combustion and Flame. 180: 239-249. DOI: 10.1016/J.Combustflame.2016.10.014  0.549
2016 Slakman BL, Simka HS, Reddy H, West RH. Extending Reaction Mechanism Generator to Silicon Hydride Chemistry Industrial & Engineering Chemistry Research. 55: 12507-12515. DOI: 10.1021/Acs.Iecr.6B02402  0.572
2016 Seyedzadeh Khanshan F, West RH. Developing detailed kinetic models of syngas production from bio-oil gasification using Reaction Mechanism Generator (RMG) Fuel. 163: 25-33. DOI: 10.1016/J.Fuel.2015.09.031  0.573
2016 Gao CW, Allen JW, Green WH, West RH. Reaction Mechanism Generator: Automatic construction of chemical kinetic mechanisms Computer Physics Communications. 203: 212-225. DOI: 10.1016/J.Cpc.2016.02.013  0.787
2015 Bhoorasingh PL, West RH. Transition state geometry prediction using molecular group contributions. Physical Chemistry Chemical Physics : Pccp. PMID 26446401 DOI: 10.1039/C5Cp04706D  0.502
2015 Zhuo C, Khanshan F, West R, Richter H, Levendis YA. Effects of C02 on carbon nanotube formation from thermal decomposition of ethylene Materials Research Society Symposium Proceedings. 1747: 13-18. DOI: 10.1557/Opl.2015.338  0.323
2015 Van De Vijver R, Vandewiele NM, Bhoorasingh PL, Slakman BL, Khanshan FS, Carstensen HH, Reyniers MF, Marin GB, West RH, Van Geem KM. Automatic mechanism and kinetic model generation for gas- And solution-phase processes: A perspective on best practices, recent advances, and future challenges International Journal of Chemical Kinetics. 47: 199-231. DOI: 10.1002/Kin.20902  0.715
2014 Nicolas G, Khanshan FS, Metghalchi H, West RH. Reduction techniques methods for simplifying complex kinetic systems: A general review Asme International Mechanical Engineering Congress and Exposition, Proceedings (Imece). 6. DOI: 10.1115/IMECE2014-36351  0.456
2013 Jalan A, West RH, Green WH. An extensible framework for capturing solvent effects in computer generated kinetic models. The Journal of Physical Chemistry. B. 117: 2955-70. PMID 23301874 DOI: 10.1021/Jp310824H  0.808
2012 West RH, Allen JW, Green WH. ChemInform Abstract: Automatic Reaction Mechanism Generation with Group Additive Kinetics Cheminform. 43: no-no. DOI: 10.1002/CHIN.201236258  0.665
2010 Jalan A, Ashcraft RW, West RH, Green WH. Predicting solvation energies for kinetic modeling Annual Reports On the Progress of Chemistry - Section C. 106: 211-258. DOI: 10.1039/b811056p  0.771
2010 West RH, Magoon GR. Letter to the Editor: Electronic Data Formats for Open Storage of Published Chemical Kinetic Data International Journal of Chemical Kinetics. 42: 200-201. DOI: 10.1002/Kin.20484  0.794
2010 Jalan A, Ashcraft RW, West RH, Green WH. ChemInform Abstract: Predicting Solvation Energies for Kinetic Modeling Cheminform. 41: no-no. DOI: 10.1002/CHIN.201045263  0.754
2009 Shirley R, Liu Y, Totton TS, West RH, Kraft M. First-principles thermochemistry for the combustion of a TiCl4 and AlCl3 mixture. The Journal of Physical Chemistry. A. 113: 13790-6. PMID 19888740 DOI: 10.1021/Jp905244W  0.737
2009 Phadungsukanan W, Shekar S, Shirley R, Sander M, West RH, Kraft M. First-principles thermochemistry for silicon species in the decomposition of tetraethoxysilane. The Journal of Physical Chemistry. A. 113: 9041-9. PMID 19603756 DOI: 10.1021/Jp905494S  0.75
2009 Sander M, West RH, Celnik MS, Kraft M. A Detailed Model for the Sintering of Polydispersed Nanoparticle Agglomerates Aerosol Science and Technology. 43: 978-989. DOI: 10.1080/02786820903092416  0.647
2009 Celnik MS, Sander M, Raj A, West RH, Kraft M. Modelling soot formation in a premixed flame using an aromatic-site soot model and an improved oxidation rate Proceedings of the Combustion Institute. 32: 639-646. DOI: 10.1016/J.PROCI.2008.06.062  0.637
2009 West RH, Shirley RA, Kraft M, Goldsmith CF, Green WH. A detailed kinetic model for combustion synthesis of titania from TiCl4 Combustion and Flame. 156: 1764-1770. DOI: 10.1016/J.Combustflame.2009.04.011  0.8
2009 Raj A, Celnik M, Shirley R, Sander M, Patterson R, West R, Kraft M. A statistical approach to develop a detailed soot growth model using PAH characteristics Combustion and Flame. 156: 896-913. DOI: 10.1016/J.Combustflame.2009.01.005  0.716
2008 Celnik M, Raj A, West R, Patterson R, Kraft M. Aromatic site description of soot particles Combustion and Flame. 155: 161-180. DOI: 10.1016/J.Combustflame.2008.04.011  0.686
2008 Celnik MS, West RH, Morgan NM, Kraft M, Moisala A, Wen JZ, Green WH, Richter H. Modelling gas-phase synthesis of single-walled carbon nanotubes on iron catalyst particles Carbon. 46: 422-433. DOI: 10.1016/J.Carbon.2007.12.004  0.763
2007 West RH, Beran GJ, Green WH, Kraft M. First-principles thermochemistry for the production of TiO2 from TiCl4. The Journal of Physical Chemistry. A. 111: 3560-5. PMID 17441693 DOI: 10.1021/Jp0661950  0.78
2007 West RH, Celnik MS, Inderwildi OR, Kraft M, Beran GJO, Green WH. Toward a comprehensive model of the synthesis of TiO2 particles from TiCl4 Industrial and Engineering Chemistry Research. 46: 6147-6156. DOI: 10.1021/Ie0706414  0.785
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