Benchmarking stochastic and deterministic kinetic modeling of bulk and solution radical polymerization processes by including six types of factors two L De Keer, FL Figueira, YW Marien, K De Smit, M Edeleva, ... Macromolecular Theory and Simulations 29 (6), 2000065, 2020 | 37 | 2020 |
Generalized parameters of the Stryjek–Vera and Gibbons–Laughton cohesion functions for use with cubic EOS of the van der Waals type FL Figueira, L Lugo, C Olivera-Fuentes Fluid Phase Equilibria 259 (1), 105-115, 2007 | 36 | 2007 |
Coupled matrix kinetic Monte Carlo simulations applied for advanced understanding of polymer grafting kinetics FL Figueira, YY Wu, YN Zhou, ZH Luo, PHM Van Steenberge, ... Reaction Chemistry & Engineering 6 (4), 640-661, 2021 | 34 | 2021 |
Translating simulated chain length and molar mass distributions in chain‐growth polymerization for experimental comparison and mechanistic insight YW Marien, M Edeleva, FL Figueira, FJ Arraez, PHM Van Steenberge, ... Macromolecular Theory and Simulations 30 (3), 2100008, 2021 | 32 | 2021 |
Cost‐efficient modeling of distributed molar mass and topological variations in graft copolymer synthesis by upgrading the method of moments YY Wu, FL Figueira, M Edeleva, PHM Van Steenberge, DR D'hooge, ... AIChE Journal 68 (4), e17559, 2022 | 25 | 2022 |
Bridging principal component analysis and method of moments based parameter estimation for grafting of polybutadiene with styrene YY Wu, FL Figueira, PHM Van Steenberge, DR D'hooge, YN Zhou, ... Chemical Engineering Journal 425, 130463, 2021 | 21 | 2021 |
Prediction of the thermodynamic properties of {ammonia+ water} using cubic equations of state with the SOF cohesion function FL Figueira, S Derjani-Bayeh, C Olivera-Fuentes Fluid phase equilibria 303 (1), 96-102, 2011 | 15 | 2011 |
An energy-based cohesion function for cubic equations of state F Figueira, AJ Rodríguez, BC Stamateris, CG Olivera-Fuentes Parameters 1 (1), 3, 2006 | 13 | 2006 |
Sensitivity analysis of isothermal free radical induced grafting through application of the distribution-Numerical fractionation-Method of moments CX Zhu, YY Wu, FL Figueira, PHM Van Steenberge, DR D'hooge, ... Chemical Engineering Journal 444, 136595, 2022 | 12 | 2022 |
Correlation and prediction of fluid–fluid equilibria of carbon dioxide–aromatics and carbon dioxide–dichlorobenzoates binary mixtures AM Cataño-Barrera, FL Figueira, C Olivera-Fuentes, CM Colina Fluid phase equilibria 311, 45-53, 2011 | 9 | 2011 |
Explicit stochastic modeling of termination chain length dependencies for all disparate radical pairs in single phase free radical induced grafting FL Figueira, AD Trigilio, YY Wu, YN Zhou, ZH Luo, PHM Van Steenberge, ... Chemical Engineering Journal 452, 139389, 2023 | 6 | 2023 |
Procedures and guidelines for inputting and output smoothening of kinetic Monte Carlo distributions L De Keer, M Edeleva, FL Figueira, P Reyes, DR D'hooge, ... Advanced Theory and Simulations 5 (5), 2100580, 2022 | 6 | 2022 |
Generalized correlation of binary interaction parameters in cubic equations of state for hydrocarbon/CO2, hydrocarbon/H2S and CO2/H2S systems OM Barrios, C Olivera-Fuentes, FL Figueira Chemical Engineering Transactions 24, 589-594, 2011 | 4 | 2011 |
Constructing and validating ternary phase diagrams as basis for polymer dissolution recycling R Denolf, J Hogie, FL Figueira, I Mertens, T De Somer, DR D'hooge, ... Journal of Molecular Liquids 387, 122630, 2023 | 3 | 2023 |
Prediction of hydrogen solubility in PYGAS with equations of state M Rojas, F Figueira, S Zeppieri Journal of Computational Methods in Sciences and Engineering 14 (1-3), 137-153, 2014 | 2 | 2014 |
A two‐phase method of moments model for high‐impact polystyrene phase inversion conversion and molecular properties CX Zhu, J Jin, YY Wu, FL Figueira, M Edeleva, PHM Van Steenberge, ... AIChE Journal 70 (2), e18297, 2024 | 1 | 2024 |
Coupled matrix-based Monte Carlo modeling for a mechanistic understanding of poly (methyl methacrylate) thermochemical recycling kinetics EKC Moens, YW Marien, FL Figueira, AD Trigilio, K De Smit, ... Chemical Engineering Journal 475, 146105, 2023 | 1 | 2023 |
Multiscale theoretical tools for in silico macromolecular chemistry and engineering M Edeleva, FJ Arraez, YY Wu, L Xie, FL Figueira, YW Marien, YN Zhou, ... In-Silico Approaches to Macromolecular Chemistry, 17-69, 2023 | 1 | 2023 |
Application of a Theoretically Based Cohesion Function to the Peng-Robinson Equation of State for Nonpolar and Polar Fluids F Figueira, C Olivera-Fuentes, BC Stamateris 2nd Mercosur Congress on Chemical Engineering, Enpromer, 2005 | 1 | 2005 |
Combining ternary phase diagrams and multiphase coupled matrix-based Monte Carlo to model phase dependent compositional and molar mass variations in high impact polystyrene … FL Figueira, P Reyes, M Edeleva, YW Marien, YY Wu, YN Zhou, ZH Luo, ... Chemical Engineering Journal 481, 148349, 2024 | | 2024 |