A Review of Kinetic Modeling Methodologies for Complex Processes

Application of Monte Carlo techniques to LCO gas oil hydrotreating: Molecular reconstruction and kinetic modelling

(2016) Maria Lopez Abelairas et al.   CATALYSIS TODAY

Microkinetic model for the pyrolysis of methyl esters: From model compound to industrial biodiesel

(2015) Ruben De Bruycker et al.   AICHE JOURNAL

Ethene oligomerization on Ni-SiO2-Al2O3: Experimental investigation and Single-Event MicroKinetic modeling

(2015) K. Toch et al.   APPLIED CATALYSIS A-GENERAL

Rule-based ab initio kinetic model for alkyl sulfide pyrolysis

(2015) Ruben Van de Vijver et al.   CHEMICAL ENGINEERING JOURNAL

Molecular-Level Modeling and Simulation of Vacuum Gas Oil Hydrocracking

(2015) Anton Alvarez-Majmutov et al.   ENERGY & FUELS

Deriving the Molecular Composition of Vacuum Distillates by Integrating Statistical Modeling and Detailed Hydrocarbon Characterization

(2015) Anton Alvarez-Majmutov et al.   ENERGY & FUELS

Automatic Mechanism and Kinetic Model Generation for Gas- and Solution-Phase Processes: A Perspective on Best Practices, Recent Advances, and Future Challenges

(2015) Ruben Van de Vijver et al.   INTERNATIONAL JOURNAL OF CHEMICAL KINETICS

Maximizing n-alkane hydroisomerization: the interplay of phase, feed complexity and zeolite catalyst mixing

(2015) B. D. Vandegehuchte et al.   Catalysis Science & Technology

Deriving the Molecular Composition of Middle Distillates by Integrating Statistical Modeling with Advanced Hydrocarbon Characterization

(2014) Anton Alvarez-Majmutov et al.   ENERGY & FUELS

Hydrodesulfurization and hydrodemetallization of different origin vacuum residues: New modeling approach

(2014) C. Ferreira et al.   FUEL

Single-Event MicroKinetics (SEMK) for Methanol to Hydrocarbons (MTH) on H-ZSM-23

(2013) P. Kumar et al.   CATALYSIS TODAY

Simulating vacuum residue hydroconversion by means of Monte-Carlo techniques

(2013) Luís Pereira de Oliveira et al.   CATALYSIS TODAY

Molecular Reconstruction of Petroleum Fractions: Application to Vacuum Residues from Different Origins

(2013) L. Pereira de Oliveira et al.   ENERGY & FUELS

Generalized Model of Hydrocarbons Pyrolysis Using Automated Reactions Network Generation

(2013) Adam Karaba et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Development of a General Modelling Methodology for Vacuum Residue Hydroconversion

(2013) L. Pereira de Oliveira et al.   Oil & Gas Science and Technology-Revue d IFP Energies nouvelles

Molecule-based kinetic modeling by Monte Carlo methods for heavy petroleum conversion

(2013) Luís Pereira de Oliveira et al.   Science China-Chemistry

n-Hexadecane hydrocracking Single-Event MicroKinetics on Pt/H-beta

(2012) B.D. Vandegehuchte et al.   APPLIED CATALYSIS A-GENERAL

A Monte Carlo modeling methodology for the simulation of hydrotreating processes

(2012) Luís Pereira de Oliveira et al.   CHEMICAL ENGINEERING JOURNAL

Genesys: Kinetic model construction using chemo-informatics

(2012) Nick M. Vandewiele et al.   CHEMICAL ENGINEERING JOURNAL

Systematic Optimization of Asphaltene Molecular Structure and Molecular Weight Using the Quantitative Molecular Representation Approach

(2012) Hassan K. Al Halwachi et al.   ENERGY & FUELS

Hydrogen Production by Homogeneous Partial Oxidation of Propane

(2012) Céline Hognon et al.   ENERGY & FUELS

Single-Event Microkinetics for Methanol to Olefins on H-ZSM-5

(2012) Pravesh Kumar et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Extension of the Single-Event Microkinetic Model to Alkyl Substituted Monoaromatics Hydrogenation on a Pt Catalyst

(2012) Tapan Bera et al.   ACS Catalysis

Single-Event MicroKinetics of Aromatics Hydrogenation on Pt/H-ZSM22

(2011) Tapan Bera et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Modeling the Composition of Crude Oil Fractions Using Constrained Homologous Series

(2011) Steven P. Pyl et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Kinetic Modeling using the Single-Event Methodology: Application to the Isomerization of Light Paraffins

(2011) K. Surla et al.   Oil & Gas Science and Technology-Revue d IFP Energies nouvelles

Single Event Kinetic Modelling without Explicit Generation of Large Networks: Application to Hydrocracking of Long Paraffins

(2011) D. Guillaume et al.   Oil & Gas Science and Technology-Revue d IFP Energies nouvelles

Reduction of Single Event Kinetic Models by Rigorous Relumping: Application to Catalytic Reforming

(2011) H. Cochegrue et al.   Oil & Gas Science and Technology-Revue d IFP Energies nouvelles

Reconstruction of Petroleum Feedstocks by Entropy Maximization. Application to FCC Gasolines

(2011) D. Hudebine et al.   Oil & Gas Science and Technology-Revue d IFP Energies nouvelles

Molecular components-based representation of petroleum fractions

(2010) Muhammad Imran Ahmad et al.   CHEMICAL ENGINEERING RESEARCH & DESIGN

Rule-Based Generation of Thermochemical Routes to Biomass Conversion

(2010) Srinivas Rangarajan et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Molecular Characterization of Gasoline and Diesel Streams

(2010) Yongwen Wu et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Challenge in the speciation of nitrogen-containing compounds in heavy petroleum fractions by high temperature comprehensive two-dimensional gas chromatography

(2010) Thomas Dutriez et al.   JOURNAL OF CHROMATOGRAPHY A

Global approach for the selection of high temperature comprehensive two-dimensional gas chromatography experimental conditions and quantitative analysis in regards to sulfur-containing compounds in heavy petroleum cuts

(2010) Laure Mahé et al.   JOURNAL OF CHROMATOGRAPHY A

Kinetic Modeling of Vacuum Gas Oil Hydrotreatment using a Molecular Reconstruction Approach

(2010) N. Charon-Revellin et al.   Oil & Gas Science and Technology-Revue d IFP Energies nouvelles

Extension of the Single-Event Methodology to Metal Catalysis: Application to Fischer-Tropsch Synthesis

(2010) G. Lozano-Blanco et al.   Oil & Gas Science and Technology-Revue d IFP Energies nouvelles

Computational framework for predictive biodegradation

(2009) Stacey D. Finley et al.   BIOTECHNOLOGY AND BIOENGINEERING

Reactivity study of Athabasca vacuum residue in hydroconversion conditions

(2009) P. Danial-Fortain et al.   CATALYSIS TODAY

In-depth modeling of gas oil hydrotreating: From feedstock reconstruction to reactor stability analysis

(2009) C. López García et al.   CATALYSIS TODAY

Simulation of an industrial riser for catalytic cracking in the presence of coking using Single-Event MicroKinetics

(2009) R. Quintana-Solórzano et al.   CATALYSIS TODAY

Synergy between shape selective and non-shape selective bifunctional zeolites modelled via the Single-Event MicroKinetic (SEMK) methodology

(2009) I. Roy Choudhury et al.   CHEMICAL ENGINEERING SCIENCE

Modeling residue hydrotreating

(2009) C. Ferreira et al.   CHEMICAL ENGINEERING SCIENCE

Molecular reconstruction of heavy petroleum residue fractions

(2009) J.J. Verstraete et al.   CHEMICAL ENGINEERING SCIENCE

Quantitative Molecular Representation of Asphaltenes and Molecular Dynamics Simulation of Their Aggregation†

(2009) Edo S. Boek et al.   ENERGY & FUELS

Improved hydrocarbons analysis of heavy petroleum fractions by high temperature comprehensive two-dimensional gas chromatography

(2009) Thomas Dutriez et al.   FUEL

Single-Event Microkinetic Model for Long-Chain Paraffin Hydrocracking and Hydroisomerization on an Amorphous Pt/SiO2·Al2O3Catalyst

(2009) Marios Mitsios et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Statistical Reconstruction of Gas Oil Cuts

(2009) D. Hudebine et al.   Oil & Gas Science and Technology-Revue d IFP Energies nouvelles

Detailed mechanistic modeling of high-density polyethylene pyrolysis: Low molecular weight product evolution

(2009) Seth E. Levine et al.   POLYMER DEGRADATION AND STABILITY

Design of Optimum Zeolite Pore System for Central Hydrocracking of Long-Chain n-Alkanes based on a Single-Event Microkinetic Model

(2009) Joris W. Thybaut et al.   TOPICS IN CATALYSIS

SynBioSS: the synthetic biology modeling suite

(2008) Anthony D. Hill et al.   BIOINFORMATICS

Comprehensive two-dimensional gas chromatography for basic and neutral nitrogen speciation in middle distillates

(2008) Frédérick Adam et al.   FUEL

Mechanistic Modeling of Lubricant Degradation. 2. The Autoxidation of Decane and Octane

(2008) Jim Pfaendtner et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Single-Event Microkinetic Model for Fischer−Tropsch Synthesis on Iron-Based Catalysts

(2008) Gisela Lozano-Blanco et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Mechanistic Modeling of Lubricant Degradation. 1. Structure−Reactivity Relationships for Free-Radical Oxidation

(2008) Jim Pfaendtner et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Stochastic Simulation and Single Events Kinetic Modeling: Application to Olefin Oligomerization

(2008) Javad R. Shahrouzi et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Modeling Ideal and Nonideal Hydrocracking of Paraffins Using the Single-Event Lumped Parameter Hybrid (SELPH) Model

(2008) Juan C. Chavarría-Hernández et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Fundamental Kinetic Modeling of Catalytic Reforming

(2008) Rogelio Sotelo-Boyás et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Using comprehensive two-dimensional gas chromatography for the analysis of oxygenates in middle distillates

(2008) Frédérick Adam et al.   JOURNAL OF CHROMATOGRAPHY A

High-temperature two-dimensional gas chromatography of hydrocarbons up to nC60 for analysis of vacuum gas oils

(2008) Thomas Dutriez et al.   JOURNAL OF CHROMATOGRAPHY A

Challenges of Modeling Steam Cracking of Heavy Feedstocks

(2008) K. M. Van Geem et al.   Oil & Gas Science and Technology-Revue d IFP Energies nouvelles

Single-event-lumped-parameter hybrid (SELPH) model for non-ideal hydrocracking of n-octane

(2007) J CHAVARRIAHERNANDEZ et al.   CATALYSIS TODAY

Studies on the evolution of asphaltene structure during hydroconversion of petroleum residues

(2007) T GAUTHIER et al.   CATALYSIS TODAY

Detailed kinetic models for catalytic reforming

(2007) Wei Wei et al.   FUEL PROCESSING TECHNOLOGY