Numerical techniques for the solution of the molecular weight distribution in polymerization mechanisms, state of the art

E Saldívar‐Guerra - Macromolecular Reaction Engineering, 2020 - Wiley Online Library
The molecular weight distribution (MWD) is possibly the most important characteristic of a
polymer. Polymers derive many of their physical properties from their MWD. Therefore, since …

[图书][B] Youth development in football: Lessons from the world's best academies

M Nesti, C Sulley - 2014 - taylorfrancis.com
The identification and development of talented young players has become a central concern
of football clubs at all levels of the professional game, as well as for national and …

From Molecular to Plant‐Scale Modeling of Polymerization Processes: A Digital High‐Pressure Low‐Density Polyethylene Production Paradigm

C Kiparissides, A Krallis, D Meimaroglou… - Chemical …, 2010 - Wiley Online Library
A generalized multiscale modeling framework is described for the digital simulation of a high‐
pressure low‐density polyethylene (LDPE) tubular reactor. According to the proposed …

A novel stochastic approach for the prediction of the exact topological characteristics and rheological properties of highly-branched polymer chains

D Meimaroglou, C Kiparissides - Macromolecules, 2010 - ACS Publications
A novel stochastic algorithm is described for the accurate prediction of the detailed
molecular topology of highly branched polymer chains. Stochastic topological polymer chain …

Modeling of polystyrene degradation using kinetic Monte Carlo

LP da Mata Costa, ALT Brandão, JC Pinto - Journal of Analytical and …, 2022 - Elsevier
Polystyrene chemical recycling via pyrolysis constitutes an appropriate route for disposal of
post-consumption material as high styrene amounts can be obtained and used for the …

General method for speeding up kinetic Monte Carlo simulations

ASC Rego, ALT Brandão - Industrial & Engineering Chemistry …, 2020 - ACS Publications
Kinetic Monte Carlo (MC) is the main stochastic strategy used to simulate polymerization
systems, as it gives good results with simple formulation. Normally, the algorithm used in this …

A multistep method for steady‐state Monte Carlo simulations of polymerization processes

R Liu, X Lin, A Armaou, X Chen - AIChE Journal, 2023 - Wiley Online Library
Identifying the microscopic information of polymers is of great significance for polymerization
processes. Monte Carlo (MC) simulation is a powerful tool to predict the microscopic …

Parameter Estimation and Kinetic Monte Carlo Simulation of Styrene and n-Butyl Acrylate Copolymerization through ATRP

ASC Rego, ALT Brandão - Industrial & Engineering Chemistry …, 2021 - ACS Publications
Controlled polymerization causes the final product to have predictable properties, allowing it
to have a more diverse application, in turn, increasing its added value. In the present work, a …

Prediction of the bivariate molecular weight-Long chain branching distribution in highly branched polymerization systems using Monte Carlo and sectional grid …

D Meimaroglou, A Krallis, V Saliakas… - …, 2007 - ACS Publications
In the present work, an efficient Monte Carlo (MC) algorithm and a two-dimensional fixed
pivot technique (FPT) are described for the calculation of the molecular weight distribution …

Dynamic prediction of the bivariate molecular weight–copolymer composition distribution using sectional-grid and stochastic numerical methods

A Krallis, D Meimaroglou, C Kiparissides - Chemical Engineering Science, 2008 - Elsevier
In the present study, a two-dimensional fixed pivot technique (2-D FPT) and an efficient
Monte Carlo (MC) algorithm are described for the calculation of the bivariate molecular …