Michael T. Klein - Publications

Affiliations: 
Chemical Engineering University of Delaware, Newark, DE, United States 
Website:
http://www.che.udel.edu/directory/facultyprofile.html?id=229

176 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
2020 Abo-Ghander NS, Klein MT. Delplot-compliant data: molecular observables vs. reaction intermediates Energy & Fuels. DOI: 10.1021/Acs.Energyfuels.0C02465  0.422
2019 Alasiri H, Klein MT. Solvent Effects for the Hydrolysis Reaction of Dibenzyl ether in Supercritical Water: A Combined Density Functional Theory and Molecular Dynamics Simulation Study Energy & Fuels. 33: 12685-12689. DOI: 10.1021/Acs.Energyfuels.9B03138  0.386
2019 Agarwal P, Klein MT. Generating Data-Driven Models from Molecular-Level Kinetic Models: A Kinetic Model Speedup Strategy Energy & Fuels. 33: 10372-10379. DOI: 10.1021/Acs.Energyfuels.9B02250  0.58
2019 Agarwal P, Sahasrabudhe M, Khandalkar S, Saravanan C, Klein MT. Molecular-Level Kinetic Modeling of a Real Vacuum Gas Oil Hydroprocessing Refinery System Energy & Fuels. 33: 10143-10158. DOI: 10.1021/Acs.Energyfuels.9B02228  0.625
2019 Agarwal P, Al-Khattaf SS, Klein MT. Molecular-Level Kinetic Modeling of Triglyceride Hydroprocessing Energy & Fuels. 33: 7377-7384. DOI: 10.1021/Acs.Energyfuels.9B01309  0.647
2019 Aitani A, Akhtar MN, Al-Khattaf S, Jin Y, Koseoglo O, Klein MT. Catalytic Upgrading of Light Naphtha to Gasoline Blending Components: A Mini Review Energy & Fuels. 33: 3828-3843. DOI: 10.1021/Acs.Energyfuels.9B00704  0.301
2019 Tanimu G, Al-Khattaf SS, Klein MT. Elucidation of the Reaction Network for the Oxidative Dehydrogenation of Butane to Butadiene Energy & Fuels. 33: 1473-1478. DOI: 10.1021/Acs.Energyfuels.8B04125  0.377
2019 Abo-Ghander NS, Klein MT. Influence of Reaction Reversibility on the Interpretation of Delplots of the Parallel-Series Reaction Network Energy & Fuels. 33: 1444-1449. DOI: 10.1021/Acs.Energyfuels.8B03649  0.346
2018 Siepmann JI, Brennecke JF, Allen DT, Klein MT, Savage PE, Schatz GC, Winnik FM. ACS Virtual Issue on Multicomponent Systems: Absorption, Adsorption, and Diffusion Journal of Chemical & Engineering Data. 63: 3651-3651. DOI: 10.1021/Acs.Jced.8B00842  0.425
2018 Abo-Ghander NS, Klein MT. Influence of Reaction Temperature on the Interpretation of Delplots for the Parallel-Series Reaction Network Energy & Fuels. 32: 10904-10909. DOI: 10.1021/Acs.Energyfuels.8B02689  0.399
2018 Evenepoel N, Agarwal P, Klein MT. Molecular-Level Kinetic Modeling of Lube Base Oil Hydroisomerization Energy & Fuels. 32: 9804-9812. DOI: 10.1021/Acs.Energyfuels.8B02266  0.64
2018 Cui C, Zhang L, Ma Y, Billa T, Hou Z, Shi Q, Zhao S, Xu C, Klein MT. Computer-Aided Gasoline Compositional Model Development Based on GC-FID Analysis Energy & Fuels. 32: 8366-8373. DOI: 10.1021/Acs.Energyfuels.8B01953  0.576
2018 Alasiri H, Klein MT. Density Functional Theory Probe of the Hydrolysis of Heavy Hydrocarbon Structural Moieties in Supercritical Water Energy & Fuels. 32: 8700-8704. DOI: 10.1021/Acs.Energyfuels.8B01852  0.332
2018 Zhou X, Hou Z, Wang J, Fang W, Ma A, Guo J, Klein MT. Molecular-Level Kinetic Model for C12 Continuous Catalytic Reforming Energy & Fuels. 32: 7078-7085. DOI: 10.1021/Acs.Energyfuels.8B00950  0.57
2018 Abo-Ghander NS, Klein MT. Extension of the Delplot Analysis for Experiments with Non-zero Initial Product Concentrations Energy & Fuels. 32: 6234-6238. DOI: 10.1021/Acs.Energyfuels.8B00859  0.367
2018 Agarwal P, Evenepoel N, Al-Khattaf SSF, Klein MT. Molecular-Level Kinetic Modeling of Methyl Laurate: The Intrinsic Kinetics of Triglyceride Hydroprocessing Energy & Fuels. 32: 5264-5270. DOI: 10.1021/Acs.Energyfuels.8B00647  0.646
2018 Deniz CU, Yasar SHO, Yasar M, Klein MT. Effect of Boiling Point and Density Prediction Methods on Stochastic Reconstruction Energy & Fuels. 32: 3344-3355. DOI: 10.1021/Acs.Energyfuels.8B00018  0.617
2018 Cui C, Billa T, Zhang L, Shi Q, Zhao S, Klein MT, Xu C. Molecular Representation of the Petroleum Gasoline Fraction Energy & Fuels. 32: 1525-1533. DOI: 10.1021/Acs.Energyfuels.7B03588  0.351
2017 Deniz CU, Yasar M, Klein MT. Stochastic Reconstruction of Complex Heavy Oil Molecules Using an Artificial Neural Network Energy & Fuels. 31: 11932-11938. DOI: 10.1021/Acs.Energyfuels.7B02311  0.628
2017 He S, Lucio-Vega J, Zhang L, Shi Q, Horton SR, Al-Khattaf S, Al-Jundi I, Elmutasim O, Zhao S, Klein MT. Integrating Visualization Methods with Chemical Kinetics Model Solution and Editing Tools Energy & Fuels. 31: 9881-9889. DOI: 10.1021/Acs.Energyfuels.7B01202  0.788
2017 Deniz CU, Yasar M, Klein MT. A New Extended Structural Parameter Set for Stochastic Molecular Reconstruction: Application to Asphaltenes Energy & Fuels. 31: 7919-7931. DOI: 10.1021/Acs.Energyfuels.7B01006  0.67
2017 Billa T, Horton SR, Sahasrabudhe M, Saravanan C, Hou Z, Agarwal P, Lucio-Vega J, Klein MT. Enhancing the value of detailed kinetic models through the development of interrogative software applications Computers & Chemical Engineering. 106: 512-528. DOI: 10.1016/J.Compchemeng.2017.07.009  0.792
2016 Virk PS, Klein MT. Frontier Orbital Interpretation of Gas Release Pathways in Lignin Thermolysis Energy & Fuels. 30: 8043-8046. DOI: 10.1021/Acs.Energyfuels.6B01327  0.631
2016 Horton SR, Zhang Y, Mohr R, Petrocelli F, Klein MT. Implementation of a Molecular-Level Kinetic Model for Plasma-Arc Municipal Solid Waste Gasification Energy & Fuels. 30: 7904-7915. DOI: 10.1021/Acs.Energyfuels.6B00899  0.79
2016 Horton SR, Woeckener J, Mohr R, Zhang Y, Petrocelli F, Klein MT. Molecular-Level Kinetic Modeling of the Gasification of Common Plastics Energy and Fuels. 30: 1662-1674. DOI: 10.1021/Acs.Energyfuels.5B02047  0.782
2016 Horton SR, Mohr RJ, Zhang Y, Petrocelli FP, Klein MT. Molecular-Level Kinetic Modeling of Biomass Gasification Energy and Fuels. 30: 1647-1661. DOI: 10.1021/Acs.Energyfuels.5B01988  0.798
2015 Chiu LW, Desai J, Shanti C, Rane S, Agarwal P, Thomas RL, Klein M, Chouthai NS. SNAPPE II Score As a Predictor of Survival in Neonates with Congenital Diaphragmatic Hernia: A Single Center Experience. European Journal of Pediatric Surgery : Official Journal of Austrian Association of Pediatric Surgery ... [Et Al] = Zeitschrift Fur Kinderchirurgie. PMID 26267235 DOI: 10.1055/S-0035-1554103  0.378
2015 Horton SR, Zhang L, Hou Z, Bennett CA, Klein MT, Zhao S. Molecular-level kinetic modeling of resid pyrolysis Industrial and Engineering Chemistry Research. 54: 4226-4235. DOI: 10.1021/Ie5041572  0.834
2014 Moreno BM, Quach AL, Merves MN, Klein MT. Discrimination between free-radical and concerted pyrolysis mechanisms Energy and Fuels. 28: 4256-4259. DOI: 10.1021/Ef500055A  0.785
2014 Zhang L, Hou Z, Horton SR, Klein MT, Shi Q, Zhao S, Xu C. Molecular representation of petroleum vacuum resid Energy and Fuels. 28: 1736-1749. DOI: 10.1021/Ef402081X  0.77
2014 Horton SR, Klein MT. Reaction and catalyst families in the modeling of coal and biomass hydroprocessing kinetics Energy and Fuels. 28: 37-40. DOI: 10.1021/Ef401582C  0.747
2013 Moreno BM, Li N, Lee J, Huber GW, Klein MT. Modeling aqueous-phase hydrodeoxygenation of sorbitol over Pt/SiO 2-Al2O3 Rsc Advances. 3: 23769-23784. DOI: 10.1039/C3Ra45179H  0.816
2013 Alvarez YE, Moreno BM, Klein MT, Watson JK, Castro-Marcano F, Mathews JP. Novel simplification approach for large-scale structural models of coal: Three-dimensional molecules to two-dimensional lattices. Part 3: Reactive lattice simulations Energy and Fuels. 27: 2915-2922. DOI: 10.1021/ef4001105  0.776
2013 Horton SR, Hou Z, Moreno BM, Bennett CA, Klein MT. Molecule-based modeling of heavy oil Science China Chemistry. 56: 840-847. DOI: 10.1007/S11426-013-4895-8  0.803
2013 Horton SR, Bennett CA, Klein MT, Zhang Y, Petrocelli FP. Molecular-level modeling of municipal solid waste gasification Liaison Functions 2013 - Core Programming Area At the 2013 Aiche Annual Meeting: Global Challenges For Engineering a Sustainable Future. 115-116.  0.783
2013 Moreno BM, Klein MT. Modeling biomass-to-fuels processing Forest and Plant Bioproducts Division 2013 - Core Programming Area At the 2013 Aiche Annual Meeting: Global Challenges For Engineering a Sustainable Future. 3.  0.785
2013 Bennett CA, Hou Z, Zhang L, Klein MT. Toward transitive closure in refinery-wide modeling: Atomically explicit kinetics models Computational Molecular Science and Engineering Forum 2013 - Core Programming Area At the 2013 Aiche Annual Meeting: Global Challenges For Engineering a Sustainable Future. 141.  0.666
2013 Horton SR, Bennett CA, Klein MT, Zhang Y, Petrocelli FP. Molecular-level modeling of municipal solid waste gasification Liaison Functions 2013 - Core Programming Area At the 2013 Aiche Annual Meeting: Global Challenges For Engineering a Sustainable Future. 115-116.  0.783
2013 Moreno BM, Klein MT. Modeling biomass-to-fuels processing Forest and Plant Bioproducts Division 2013 - Core Programming Area At the 2013 Aiche Annual Meeting: Global Challenges For Engineering a Sustainable Future. 3.  0.785
2012 Lamarca C, Moreno BM, Klein MT. Characteristics of optimal chain transfer solvents for pyrolysis kinetics Energy and Fuels. 26: 55-57. DOI: 10.1021/Ef2011832  0.758
2012 Klein MT, Hou Z, Bennett C. Reaction network elucidation: Interpreting delplots for mixed generation products Energy and Fuels. 26: 52-54. DOI: 10.1021/Ef2011723  0.708
2012 Bennett CA, Klein MT. Using mechanistically informed pathways to control the automated growth of reaction networks Energy and Fuels. 26: 41-51. DOI: 10.1021/Ef201136Z  0.651
2012 Horton SR, Zhang Y, Bennett CA, Petrocelli FP, Klein MT. Automating molecular modeling of gasification with the kinetic modelers toolbox Aiche 2012 - 2012 Aiche Annual Meeting, Conference Proceedings 0.808
2011 Pyl SP, Hou Z, Van Geem KM, Reyniers MF, Marin GB, Klein MT. Modeling the composition of crude oil fractions using constrained homologous series Industrial and Engineering Chemistry Research. 50: 10850-10858. DOI: 10.1021/Ie200583T  0.51
2011 Hou Z, Pyl SP, Bennett C, Moreno B, Klein MT. Automation of composition modeling for complex petroleum hydrocarbons by homologous series 11aiche - 2011 Aiche Annual Meeting, Conference Proceedings 0.776
2011 Klein MT, Moreno B, Bennett C. Tools for molecule-based modeling of biomass structure and reaction Acs National Meeting Book of Abstracts 0.819
2010 Hou Z, Bennett CA, Klein MT, Virk PS. Approaches and software tools for modeling lignin pyrolysis Energy and Fuels. 24: 58-67. DOI: 10.1021/Ef900488K  0.814
2009 Campbell DM, Bennett C, Hou Z, Klein MT. Attribute-based modeling of resid structure and reaction Industrial and Engineering Chemistry Research. 48: 1683-1693. DOI: 10.1021/Ie8012314  0.751
2008 Klein MT, Virk PS. Modeling of lignin thermolysis Energy and Fuels. 22: 2175-2182. DOI: 10.1021/Ef800285F  0.694
2008 Wei W, Bennett CA, Tanaka R, Hou G, Klein MT. Computer aided kinetic modeling with KMT and KME Fuel Processing Technology. 89: 350-363. DOI: 10.1016/J.Fuproc.2007.11.015  0.755
2008 Wei W, Bennett CA, Tanaka R, Hou G, Klein MT. Detailed kinetic models for catalytic reforming Fuel Processing Technology. 89: 344-349. DOI: 10.1016/J.Fuproc.2007.11.014  0.751
2008 Klein MT, Bennett C, Hou Z. Molecule-based modeling of petroleum resids: Matthew neurock's linking of quantum chemistry and global petroleum fractions Aiche 100 - 2008 Aiche Annual Meeting, Conference Proceedings 0.44
2008 Bennett CA, Hou Z, Klein MT. User controlled kinetic network generation with ingen Aiche Annual Meeting, Conference Proceedings 0.618
2008 Bennett CA, Hou Z, Klein MT. User controlled kinetic network generation with ingen Aiche Annual Meeting, Conference Proceedings 0.618
2006 Tanaka R, Bennett CA, Wei W, Hou G, Klein MT. Molecular based kinetic modeling of FCC process 2006 Aiche Spring Annual Meeting 0.622
2006 Tanaka R, Bennett C, Hou Z, Jones M, Klein MT, Hou G. Molecule-based kinetic modeling of naphtha hydrotreating Acs National Meeting Book of Abstracts. 232.  0.69
2006 Tanaka R, Bennett CA, Wei W, Hou G, Klein MT. Molecular based kinetic modeling of FCC process 2006 Aiche Spring Annual Meeting 0.622
2005 Tanaka R, Bennett CA, Klein MT. Molecular based kinetic modeling of HDS-FCC process Aiche Annual Meeting, Conference Proceedings. 10038.  0.617
2002 Klein MT, Hou G, Quann RJ, Wei W, Liao KH, Yang RS, Campain JA, Mazurek MA, Broadbelt LJ. BioMOL: a computer-assisted biological modeling tool for complex chemical mixtures and biological processes at the molecular level. Environmental Health Perspectives. 110: 1025-9. PMID 12634134 DOI: 10.1289/Ehp.02110S61025  0.724
2002 Liao KH, Dobrev ID, Dennison JE, Andersen ME, Reisfeld B, Reardon KF, Campain JA, Wei W, Klein MT, Quann RJ, Yang RS. Application of biologically based computer modeling to simple or complex mixtures. Environmental Health Perspectives. 110: 957-63. PMID 12634125 DOI: 10.1289/Ehp.02110S6957  0.415
2002 Klein MT. Kinetics of Homogeneous Multistep Reactions: F.G. Helfferich (Ed.), Elsevier, Amsterdam/New York, 426 pp., price: US$ 244, ISBN: 0444826968 Chemical Engineering Journal. 88: 263. DOI: 10.1016/S1385-8947(02)00040-2  0.304
2001 Yasar M, Trauth DM, Klein MT. Asphaltene and resid pyrolysis. 2. The effect of reaction environment on pathways and selectivities Energy and Fuels. 15: 504-509. DOI: 10.1021/Ef0000577  0.699
2000 Neurock M, Klein MT. Chapter 4 Monte Carlo Simulation of Asphaltene Structure, Reactivity and Reaction Pathways Developments in Petroleum Science. 40: 59-102. DOI: 10.1016/S0376-7361(09)70275-4  0.603
1999 Izzo B, Klein MT, LaMarca C, Scrivner NC. Hydrothermal reaction of saturated and unsaturated nitriles: Reactivity and reaction pathway analysis Industrial and Engineering Chemistry Research. 38: 1183-1191. DOI: 10.1021/Ie9803218  0.405
1999 Joshi PV, Kumar A, Mizan TI, Klein MT. Detailed kinetic models in the context of reactor analysis: Linking mechanistic and process chemistry Energy and Fuels. 13: 1135-1144. DOI: 10.1021/Ef990021I  0.552
1999 Joshi PV, Freund H, Klein MT. Directed kinetic model building: Seeding as a model reduction tool Energy and Fuels. 13: 877-880. DOI: 10.1021/Ef980259R  0.482
1999 Mizan TI, Klein MT. Computer-assisted mechanistic modeling of n-hexadecane hydroisomerization over various bifunctional catalysts Catalysis Today. 50: 159-172. DOI: 10.1016/S0920-5861(98)00473-8  0.478
1999 Harrell CL, Moscariello JS, Klein MT. The absence of wall effects during benzonitrile hydrolysis Journal of Supercritical Fluids. 14: 219-224. DOI: 10.1016/S0896-8446(98)00108-9  0.387
1998 Huang H, Wang K, Wang S, Klein MT, Calkins WH. Studies of coal liquefaction at very short reaction times. 2 Energy and Fuels. 12: 95-101. DOI: 10.1021/Ef970073C  0.321
1998 Iyer SD, Joshi PV, Klein MT. Automated Model Building and Modeling of Alcohol Oxidation in High Temperature Water Environmental Progress. 17: 221-233. DOI: 10.1002/Ep.670170412  0.429
1997 Korre SC, Klein MT, Quann RJ. Hydrocracking of Polynuclear Aromatic Hydrocarbons. Development of Rate Laws through Inhibition Studies Industrial & Engineering Chemistry Research. 36: 2041-2050. DOI: 10.1021/Ie9606808  0.339
1997 Watson BA, Klein MT, Harding RH. Mechanistic Modeling of a 1-Phenyloctane/n-Hexadecane Mixture on Rare Earth Y Zeolite Industrial and Engineering Chemistry Research. 36: 2954-2963. DOI: 10.1021/Ie9605084  0.396
1997 Watson BA, Klein MT, Harding RH. Mechanistic modeling of n-hexadecane cracking on rare earth Y Energy and Fuels. 11: 354-363. DOI: 10.1021/Ef960079M  0.442
1997 Fake DM, Nigam A, Klein MT. Mechanism based lumping of pyrolysis reactions: Lumping by reactive intermediates Applied Catalysis a: General. 160: 191-221. DOI: 10.1016/S0926-860X(97)00136-1  0.498
1997 Campbell DM, Klein MT. Construction of a molecular representation of a complex feedstock by Monte Carlo and quadrature methods Applied Catalysis a: General. 160: 41-54. DOI: 10.1016/S0926-860X(97)00123-3  0.326
1997 Watson BA, Klein MT, Harding RH. Catalytic cracking of alkylbenzenes: Modeling the reaction pathways and mechanisms Applied Catalysis a: General. 160: 13-39. DOI: 10.1016/S0926-860X(97)00122-1  0.439
1997 Iyer SD, Klein MT. Effect of pressure on the rate of butyronitrile hydrolysis in high-temperature water Journal of Supercritical Fluids. 10: 191-200. DOI: 10.1016/S0896-8446(97)00004-1  0.329
1997 Izzo B, Harrell CL, Klein MT. Nitrile Reaction in High-Temperature Water: Kinetics and Mechanism Aiche Journal. 43: 2048-2058. DOI: 10.1002/Aic.690430813  0.435
1997 Broadbelt LJ, Klein MT, Dean BD, Andrews SM. Thermal stability of aliphatic-aromatic polyamide model compounds: Structure-reactivity relationships in the catalyzed thermal reaction of benzamides in the presence of copper halides Journal of Polymer Science, Part a: Polymer Chemistry. 35: 3305-3322. DOI: 10.1002/(Sici)1099-0518(19971115)35:15<3305::Aid-Pola24>3.0.Co;2-E  0.575
1997 Watson BA, Klein MT, Harding RH. Catalytic cracking of alkylcyclohexanes: Modeling the reaction pathways and mechanisms International Journal of Chemical Kinetics. 29: 545-560. DOI: 10.1002/(Sici)1097-4601(1997)29:7<545::Aid-Kin9>3.0.Co;2-U  0.429
1997 Klein MT, Broadbelt LJ, Grittman DH. Generate rigorous pyrolysis models for olefins production by computer World Refining. 7: X1-44.  0.53
1997 Kumar A, Campbell D, Klein MT. Computer assisted kinetic modeling: Interfacing structure and reaction network builders Acs Division of Petroleum Chemistry, Inc. Preprints. 42: 662-665.  0.342
1997 Hou G, Mizan TI, Klein MT. Computer-assisted kinetic modeling of hydroprocessing Acs Division of Petroleum Chemistry, Inc. Preprints. 42: 670-673.  0.318
1997 Campbell DM, Klein MT. A structural attribute reaction model for heavy hydrocarbons Acs Division of Petroleum Chemistry, Inc. Preprints. 42: 300-302.  0.368
1996 Yumoto M, Kukes SG, Klein MT, Gates BC. Catalytic Hydroprocessing of Aromatic Compounds:  Effects of Nickel and Vanadium Sulfide Deposits on Reactivities and Reaction Networks Industrial & Engineering Chemistry Research. 35: 3203-3209. DOI: 10.1021/Ie960023F  0.385
1996 Watson BA, Klein MT, Harding RH. Mechanistic modeling of n-Heptane cracking on HZSM-5 Industrial and Engineering Chemistry Research. 35: 1506-1516. DOI: 10.1021/Ie950579N  0.389
1996 Huang H, Wang K, Wang S, Klein MT, Calkins WH. Kinetics of coal liquefaction at very short reaction times Energy and Fuels. 10: 641-648. DOI: 10.1021/Ef950260F  0.398
1996 Song C, Klein M, Reynolds J. Catalytic conversion of polycyclic aromatic hydrocarbons: an introduction Catalysis Today. 31: 1-2. DOI: 10.1016/S0920-5861(96)90009-7  0.305
1996 Iyer SD, Nicol GR, Klein MT. Hydrothermal reactions of 1-nitrobutane in high-temperature water Journal of Supercritical Fluids. 9: 26-32. DOI: 10.1016/S0896-8446(96)90041-8  0.407
1996 Korre SC, Klein MT. Development of temperature-independent quantitative structure/reactivity relationships for metal- and acid-catalyzed reactions Catalysis Today. 31: 79-91. DOI: 10.1016/0920-5861(96)00022-3  0.384
1996 Broadbelt LJ, Stark SM, Klein MT. Computer generated reaction modelling: Decomposition and encoding algorithms for determining species uniqueness Computers and Chemical Engineering. 20: 113-129. DOI: 10.1016/0098-1354(94)00009-D  0.532
1995 Broadbelt LJ, Stark SM, Klein MT. Termination of computer-generated reaction mechanisms: Species rank-based convergence criterion Industrial and Engineering Chemistry Research. 34: 2566-2573. DOI: 10.1021/Ie00047A003  0.621
1995 Korre SC, Klein MT, Quann RJ. Polynuclear aromatic hydrocarbons hydrogenation. 1. Experimental reaction pathways and kinetics Industrial and Engineering Chemistry Research. 34: 101-117. DOI: 10.1021/Ie00040A008  0.373
1995 Walter TD, Klein MT. A mechanistic model of the pyrolysis chemistry of 4-(1-naphthylmethyl)bibenzyl as a probe of hydrocarbon structure/ reactivity relationships Industrial and Engineering Chemistry Research. 34: 4244-4253. DOI: 10.1021/Ie00039A014  0.484
1995 Broadbelt LJ, LaMarca C, Klein MT, Dean BD, Andrews SM. Chemical modeling analysis of poly(aryl ether sulfone) thermal stability through computer-generated reaction mechanisms Industrial and Engineering Chemistry Research. 34: 4212-4221. DOI: 10.1021/Ie00039A009  0.559
1995 Huang H, Wang K, Klein MT, Calkins WH. Kinetics of thermal and catalyzed coal liquefaction at very short reaction times using a novel batch reactor and thermogravimetric analysis Coal Science and Technology. 24: 1207-1210. DOI: 10.1016/S0167-9449(06)80018-2  0.354
1995 Huang H, Fake DM, Klein MT, Calkins WH. A novel reactor system for studying the kinetics of coal liquefaction and related processes at very short reaction times Coal Science and Technology. 24: 1203-1206. DOI: 10.1016/S0167-9449(06)80017-0  0.377
1995 Wang X, Gron LU, Klein MT, Brill TB. The influence of high-temperature water on the reaction pathways of nitroanilines The Journal of Supercritical Fluids. 8: 236-249. DOI: 10.1016/0896-8446(95)90036-5  0.389
1995 Stark SM, Neurock M, Klein MT. Comparison of MIMD and SIMD strategies for Monte Carlo modelling of kinetically coupled reactions Computers and Chemical Engineering. 19: 719-742. DOI: 10.1016/0098-1354(94)00077-8  0.599
1995 Broadbelt LJ, Klein MT, Dean BD, Andrews SM. Structure/reactivity relationships for high-performance polyamides: Kinetics of the reactions of N,N′-dihexylphthalamides in the presence of added copper iodide and water Journal of Polymer Science, Part a: Polymer Chemistry. 33: 533-546. DOI: 10.1002/Pola.1995.080330320  0.546
1995 Broadbelt LJ, Klein MT, Dean BD, Andrews SM. Influence of poly(arylether sulfone) molecular weight distribution on measures of global thermal stability Journal of Applied Polymer Science. 58: 1325-1334. DOI: 10.1002/App.1995.070580814  0.552
1995 Broadbelt LJ, Klein MT, Dean BD, Andrews SM. Thermal degradation of aliphatic-aromatic polyamides: kinetics of N,N′-dihexylisophthalamide neat and in presence of copper iodide Journal of Applied Polymer Science. 56: 803-815. DOI: 10.1002/App.1995.070560705  0.571
1995 Neurock M, Klein MT. Molecular reaction modelling of the thermal pathways and kinetics of heavy hydrocarbon systems American Chemical Society, Division of Petroleum Chemistry, Preprints. 40: 700-704.  0.334
1994 Boock LT, Klein MT. Experimental kinetics and mechanistic modeling of the oxidation of simple mixtures in near-critical water Industrial and Engineering Chemistry Research. 33: 2554-2562. DOI: 10.1021/Ie00035A005  0.411
1994 Huang H, Calkins WH, Klein MT. Use of a novel short contact time batch reactor and thermogravimetric analysis to follow the conversion of coal-derived resids during hydroprocessing Industrial and Engineering Chemistry Research. 33: 2272-2279. DOI: 10.1021/Ie00034A004  0.332
1994 Broadbelt LJ, Klein MT, Dean BD, Andrews SM. Thermal stability of high performance poly(aryl ether sulfones): Structure/reactivity relationships in the pyrolysis of oligomeric model compounds Industrial and Engineering Chemistry Research. 33: 2265-2271. DOI: 10.1021/Ie00034A003  0.578
1994 Broadbelt LJ, Stark SM, Klein MT. Computer generated pyrolysis modeling: On-the-fly generation of species, reactions, and rates Industrial & Engineering Chemistry Research. 33: 790-799. DOI: 10.1021/Ie00028A003  0.615
1994 Russell CL, Klein MT, Quann RJ, Trewella J. Catalytic hydrocracking reaction pathways, kinetics, and mechanisms of n-alkylbenzenes Energy & Fuels. 8: 1394-1400. DOI: 10.1021/Ef00048A031  0.417
1994 Huang H, Calkins WH, Klein MT. Novel laboratory scale short contact time batch reactor system for studying fuel processes. 1. Apparatus and preliminary experiments Energy and Fuels. 8: 1304-1309. DOI: 10.1021/Ef00048A019  0.385
1994 Fake DM, LaMarca C, Klein MT. Enhancement of coal liquefaction kinetics: Effect of a multicomponent mixture on the attributes of an optimal chain-transfer solvent Energy & Fuels. 8: 1223-1227. DOI: 10.1021/Ef00048A009  0.329
1994 Trauth DM, Stark SM, Petti TF, Neurock M, Yasar M, Klein MT. Representation of the Molecular Structure of Petroleum Resid through Characterization and Monte Carlo Modeling Energy & Fuels. 38: 434-439. DOI: 10.1021/Ef00045A010  0.719
1994 Petti TF, Trauth DM, Stark SM, Neurock M, Yasar M, Klein MT. CPU Issues in the Representation of the Molecular Structure of Petroleum Resid through Characterization, Reaction, and Monte Carlo Modeling Energy & Fuels. 38: 440-445. DOI: 10.1021/Ef00045A009  0.749
1994 Walter TD, Casey SM, Klein MT, Foley HC. Effects of iron carbonyl-based catalyst precursors on the reaction of 4-(naphthylmethyl)bibenzyl Energy & Fuels. 8: 470-473. DOI: 10.1021/Ef00044A027  0.302
1994 Provine WD, Klein MT. Molecular simulation of thermal direct coal liquefaction Chemical Engineering Science. 49: 4223-4248. DOI: 10.1016/S0009-2509(05)80017-X  0.43
1994 Korre SC, Neurock M, Klein MT, Quann RJ. Hydrogenation of polynuclear aromatic hydrocarbons. 2. quantitative structure/reactivity correlations Chemical Engineering Science. 49: 4191-4210. DOI: 10.1016/S0009-2509(05)80015-6  0.603
1994 Neurock M, Nigam A, Trauth D, Klein MT. Molecular representation of complex hydrocarbon feedstocks through efficient characterization and stochastic algorithms Chemical Engineering Science. 49: 4153-4177. DOI: 10.1016/S0009-2509(05)80013-2  0.548
1994 Provine WD, Jung B, Jacintha MA, Rethwisch DG, Huang H, Calkins WH, Klein MT, Scouten C, Dybowski CR. A kinetic investigation of coal liquefaction at short reaction times Catalysis Today. 19: 409-419. DOI: 10.1016/0920-5861(94)87007-1  0.396
1994 Walter TD, Casey SM, Klein MT, Foley HC. Reaction of 4-(naphthylmethyl)bibenzyl, thermally and in the presence of fe ( co )3 ( Pph3 )2 Catalysis Today. 19: 367-379. DOI: 10.1016/0920-5861(94)87004-7  0.323
1994 Broadbelt LJ, Chu A, Klein MT. Thermal stability and degradation of aromatic polyamides. Part 2. Structure-reactivity relationships in the pyrolysis and hydrolysis of benzamides Polymer Degradation and Stability. 45: 57-70. DOI: 10.1016/0141-3910(94)90178-3  0.573
1994 Broadbelt LJ, Dziennik S, Klein MT. Thermal stability and degradation of aromatic polyamides. 1. Pyrolysis and hydrolysis pathways, kinetics and mechanisms of N-phenylbenzamide Polymer Degradation and Stability. 44: 137-146. DOI: 10.1016/0141-3910(94)90157-0  0.565
1994 Broadbelt LJ, Stark SM, Klein MT. Computer generated reaction networks: on-the-fly calculation of species properties using computational quantum chemistry Chemical Engineering Science. 49: 4991-5010. DOI: 10.1016/0009-2509(94)00326-2  0.539
1994 Yumoto M, Kukes SG, Klein MT, Gates BC. Hydrodesulfurization and hydrogenation of aromatic compounds catalyzed by Ni-Mo/γ-Al2O3: effects of nickel sulfide and vanadium sulfide deposits Catalysis Letters. 26: 1-7. DOI: 10.1007/Bf00824027  0.355
1994 Petti TF, Trauth DM, Stark SM, Newurock M, Yasar M, Klein MT. CPU issues in the representation of the molecular structure of petroleum resid through characterization, reaction, and monte Carlo modeling Energy and Fuels. 8: 570-575.  0.369
1993 Neurock M, Klein MT. Linear Free Energy Relationships in Kinetic Analyses: Applications of Quantum Chemistry Polycyclic Aromatic Compounds. 3: 231-246. DOI: 10.1080/10406639308009613  0.536
1993 Libanati C, Broadbelt L, Lamarca C, Klein MT, Andrews SM, Cotter RJ. Mechanistic modelling of polymer pyrolysis using monte carlo methods Molecular Simulation. 11: 187-204. DOI: 10.1080/08927029308022508  0.618
1993 Boock LT, Klein MT. Lumping strategy for modeling the oxidation of C1-C3 alcohols and acetic acid in high-temperature water Industrial & Engineering Chemistry Research. 32: 2464-2473. DOI: 10.1021/Ie00023A004  0.401
1993 Nigam A, Klein MT. A mechanism-oriented lumping strategy for heavy hydrocarbon pyrolysis: imposition of quantitative structure-reactivity relationships for pure components Industrial & Engineering Chemistry Research. 32: 1297-1303. DOI: 10.1021/Ie00019A003  0.381
1993 LaMarca C, Libanati C, Klein MT, Cronauer DC. Enhancing chain transfer during coal liquefaction: a model system analysis Energy & Fuels. 7: 473-478. DOI: 10.1021/Ef00040A006  0.389
1993 Stark SM, Neurock M, Klein MT. Strategies for modelling kinetic interactions in complex mixtures: Monte Carlo algorithms for MIMD parallel architectures Chemical Engineering Science. 48: 4081-4096. DOI: 10.1016/0009-2509(93)80253-M  0.591
1992 Trauth DM, Kukes SG, Yasar M, Neurock M, Nigam A, Klein MT. Asphaltene and resid pyrolysis: Effect of reaction environment Fuel Science and Technology International. 10: 1161-1179. DOI: 10.1080/08843759208916040  0.736
1992 Provine WD, Porro ND, LaMarca C, Klein MT, Foley HC, Bischoff KB, Scouten CG, Cronauer DC, Tait AM. Development of a pulse-injection short contact time coal liquefaction flow reactor Industrial and Engineering Chemistry Research. 31: 1170-1176. DOI: 10.1021/Ie00004A029  0.311
1992 Nigam A, LaMarca C, Fake D, Klein MT. Semiempirical rate laws for Rice-Herzfeld pyrolysis of mixtures: capturing chemistry with reasonable computational burden Energy & Fuels. 6: 845-853. DOI: 10.1021/Ef00036A023  0.363
1992 Torry LA, Kaminsky R, Klein MT, Klotz MR. The effect of salts on hydrolysis in supercritical and near-critical water: Reactivity and availability☆ Journal of Supercritical Fluids. 5: 163-168. DOI: 10.1016/0896-8446(92)90003-3  0.352
1992 Klein MT, Lapinas AT, Gates BC, Read CJ, Lyons JE, Macris A. Cleavage of biphenyl moieties: An efficient new reaction pathway in catalytic hydrocracking Journal of Catalysis. 137: 504-509. DOI: 10.1016/0021-9517(92)90177-J  0.331
1992 Provine WD, Klein MT, Scouten CG. An initial reaction pathway analysis of direct coal liquefaction: Experimental results Chemical Engineering Science. 47: 3697-3703. DOI: 10.1016/0009-2509(92)85087-R  0.385
1991 Paspek SC, Klein MT. A REACTION KINETICS MODEL OF SHALE OIL UPGRADING IN SUPERCRITICAL WATER Fuel Science and Technology International. 9: 839-854. DOI: 10.1080/08843759108942299  0.431
1991 Train PM, Klein MT. HYDROPROCESSING LIGNIN AND LIGNIN MODEL COMPOUNDS: PRODUCTS, KINETICS, AND CATALYST AGING Fuel Science and Technology International. 9: 193-227. DOI: 10.1080/08843759108942262  0.384
1991 Wu BC, Klein MT, Sandler SI. Solvent effects on reactions in supercritical fluids Industrial & Engineering Chemistry Research. 30: 822-828. DOI: 10.1021/Ie00053A003  0.347
1991 Wu BC, Klein MT, Sandler SI. Influence of supercritical fluid solvent density on benzyl phenyl ether pyrolysis: indications of diffusional limitations Energy & Fuels. 5: 453-458. DOI: 10.1021/Ef00027A016  0.32
1990 Train PM, Klein MT. REACTIONS OFORTHO-HYDROXYDIPHENYLMETHANE AS A PROBE OF CATALYST AGING DURING LIGN1N HYDROPROCESSING Fuel Science and Technology International. 8: 507-526. DOI: 10.1080/08843759008915939  0.375
1990 Rohr DF, Klein MT. Modeling diffusion and reaction in crosslinking epoxy-amine cure kinetics: a dynamic percolation approach Industrial & Engineering Chemistry Research. 29: 1210-1218. DOI: 10.1021/Ie00103A020  0.453
1990 Bhore NA, Klein MT, Bischoff KB. The delplot technique: a new method for reaction pathway analysis Industrial & Engineering Chemistry Research. 29: 313-316. DOI: 10.1021/Ie00098A025  0.331
1990 McDermott JB, Libanati C, LaMarca C, Klein MT. Quantitative use of model compound information: Monte Carlo simulation of the reactions of complex macromolecules Industrial & Engineering Chemistry Research. 29: 22-29. DOI: 10.1021/Ie00097A004  0.413
1990 Klein MT, Torry LA, Wu BC, Townsend SH, Paspek SC. Hydrolysis in supercritical water: Solvent effects as a probe of the reaction mechanism Journal of Supercritical Fluids. 3: 222-227. DOI: 10.1016/0896-8446(90)90026-I  0.346
1990 Bhore NA, Klein MT, Bischoff KB. Species rank in reaction pathways : application of delplot analysis Chemical Engineering Science. 45: 2109-2116. DOI: 10.1016/0009-2509(90)80084-R  0.363
1990 Neurock M, Libanati C, Nigam A, Klein MT. Monte carlo simulation of complex reaction systems: molecular structure and reactivity in modelling heavy oils Chemical Engineering Science. 45: 2083-2088. DOI: 10.1016/0009-2509(90)80080-X  0.654
1990 LaMarca C, Libanati C, Klein MT. Design of kinetically coupled complex reaction systems Chemical Engineering Science. 45: 2059-2065. DOI: 10.1016/0009-2509(90)80077-R  0.385
1990 Wu BC, Klein MT, Sandler SI. The Benzylphenylether thermolysis mechanism: Insights from phase behavior Aiche Journal. 36: 1129-1136. DOI: 10.1002/Aic.690360802  0.365
1989 Wu BC, Klein MT, Sandler SI. Reactions in and with supercritical fluids: effect of phase behavior on dibenzyl ether pyrolysis kinetics Industrial & Engineering Chemistry Research. 28: 255-259. DOI: 10.1021/Ie00087A001  0.324
1989 Savage PE, Klein MT. Kinetics of coupled reactions: Lumping pentadecylbenzene pyrolysis into three parallel chains Chemical Engineering Science. 44: 985-991. DOI: 10.1016/0009-2509(89)85271-6  0.582
1989 Savage PE, Klein MT. Asphaltene reaction pathways—v. Chemical and mathematical modeling Chemical Engineering Science. 44: 393-404. DOI: 10.1016/0009-2509(89)85076-6  0.627
1988 Abraham MA, Klein MT. REACTIONS OF BENZYL PHENYL SULFIDE NEAT AND IN DENSE POLAR SOLVENTS Fuel Science and Technology International. 6: 633-662. DOI: 10.1080/08843758808915907  0.68
1988 Abraham MA, Wu BC, Paspek SC, Klein MT. Reactions of Dibenzylamine Neat and in Supercritical Fluid Solvents Fuel Science and Technology International. 6: 557-568. DOI: 10.1080/08843758808915903  0.682
1988 Rohr DF, Klein MT. Modeling diffusion and reaction in epoxy-amine linear polymerization kinetics Industrial & Engineering Chemistry Research. 27: 1361-1366. DOI: 10.1021/Ie00080A005  0.364
1988 Savage PE, Klein MT. Asphaltene reaction pathways. 4. Pyrolysis of tridecylcyclohexane and 2-ethyltetralin Industrial & Engineering Chemistry Research. 27: 1348-1356. DOI: 10.1021/Ie00080A003  0.566
1988 Townsend SH, Abraham MA, Huppert GL, Klein MT, Paspek SC. Solvent effects during reactions in supercritical water Industrial & Engineering Chemistry Research. 27: 143-149. DOI: 10.1021/Ie00073A026  0.644
1988 Savage PE, Klein MT, Kukes SG. Asphaltene reaction pathways. 3. Effect of reaction environment Energy & Fuels. 2: 619-628. DOI: 10.1021/Ef00011A003  0.454
1987 Petrocelli F, Klein M. PROBABILISTIC MODELLING OF LIGNIN LIQUEFACTION Petroleum Science and Technology. 5: 291-327. DOI: 10.1080/08843758708915856  0.393
1987 Petrocelli FP, Klein MT. Modeling Lignin Liquefaction 1. Catalytic Hydroprocessing Of Lignin-Related Methoxyphenols And Interaromatic Unit Linkages Petroleum Science and Technology. 5: 25-62. DOI: 10.1080/08843758708915845  0.34
1987 Savage PE, Klein MT. Asphaltene reaction pathways. 2. Pyrolysis of n-pentadecylbenzene Industrial & Engineering Chemistry Research. 26: 488-494. DOI: 10.1021/Ie00063A015  0.537
1987 Savage PE, Klein MT. Discrimination between molecular and free-radical models of 1-phenyldodecane pyrolysis Industrial & Engineering Chemistry Research. 26: 374-376. DOI: 10.1021/Ie00062A034  0.527
1986 McDermott JB, Klein MT, Obst JR. Chemical modeling in the deduction of process concepts: a proposed novel process for lignin liquefaction Industrial & Engineering Chemistry Process Design and Development. 25: 885-889. DOI: 10.1021/I200035A008  0.33
1986 McDermott JB, Klein MT. Chemical and probabilistic modelling of complex reactions: A lignin depolymerization example Chemical Engineering Science. 41: 1053-1060. DOI: 10.1016/0009-2509(86)87192-5  0.443
1985 Ozer R, Monaco MP, Petrocelli FP, Klein MT. Modeling phenolic resins and their thermolysis Macromolecules. 18: 491-495. DOI: 10.1021/Ma00145A031  0.391
1985 Petrocelli FP, Klein MT. Chemical modeling analysis of the yields of single-ring phenolics from lignin liquefaction Industrial & Engineering Chemistry Product Research and Development. 24: 635-641. DOI: 10.1021/I300020A026  0.381
1985 Abraham MA, Klein MT. Pyrolysis of benzylphenylamine neat and with tetralin, methanol, and water solvents Industrial & Engineering Chemistry Product Research and Development. 24: 300-306. DOI: 10.1021/I300018A025  0.59
1985 Savage PE, Klein MT, Kukes SG. Asphaltene reaction pathways. 1. Thermolysis Industrial & Engineering Chemistry Process Design and Development. 24: 1169-1174. DOI: 10.1021/I200031A046  0.559
1985 Jegers HE, Klein MT. Primary and secondary lignin pyrolysis reaction pathways Industrial & Engineering Chemistry Process Design and Development. 24: 173-183. DOI: 10.1021/I200028A030  0.45
1985 Simmons MB, Klein MT. Free-radical and concerted reaction pathways in dibenzyl ether thermolysis Industrial & Engineering Chemistry Fundamentals. 24: 55-60. DOI: 10.1021/I100017A010  0.358
1985 Givler RM, Dhurjati P, Klein MT. A model compound analysis of a strategy for the selective microbial pretreatment of lignin The Chemical Engineering Journal. 30. DOI: 10.1016/0300-9467(85)80018-6  0.343
1985 O'Malley MM, Bennett MA, Simmons MB, Thompson ED, Klein MT. Isotope labelling as a probe for free-radical reactions during dibenzyl ether thermolysis Fuel. 64: 1027-1029. DOI: 10.1016/0016-2361(85)90166-8  0.338
1985 Townsend SH, Klein MT. Dibenzyl ether as a probe into the supercritical fluid solvent extraction of volatiles from coal with water Fuel. 64: 635-638. DOI: 10.1016/0016-2361(85)90047-X  0.34
1984 PETROCELLI FP, KLEIN MT. SIMULATION OF LIGNIN PYROLYSIS Chemical Engineering Communications. 30: 343-360. DOI: 10.1080/00986448408911138  0.418
1984 Petrocelli FP, Klein MT. Model reaction pathways in Kraft lignin pyrolysis Macromolecules. 17: 161-169. DOI: 10.1021/Ma00132A008  0.333
1983 Hurff SJ, Klein MT. Reaction pathway analysis of thermal and catalytic lignin fragmentation by use of model compounds Industrial & Engineering Chemistry Fundamentals. 22: 426-430. DOI: 10.1021/I100012A012  0.371
1983 Klein MT, Virk PS. Model pathways in lignin thermolysis. 1. Phenethyl phenyl ether Industrial & Engineering Chemistry Fundamentals. 22: 35-45. DOI: 10.1021/I100009A007  0.683
Show low-probability matches.