Correction: Study of n-Butyl Acrylate Self-Initiation Reaction Experimentally and via Macroscopic Mechanistic Modeling Processes 2016, 4, 15

Shamsabadi, Ahmad Arabi; Moghadam, Nazanin; Srinivasan, Sriraj; Corcoran, Patrick; Grady, Michael C.; Rappe, Andrew M.; Soroush, Masoud

doi:10.3390/pr4030026

Cited by 3 publications

(5 citation statements)

References 1 publication

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The importance of the moment closure for nonlinear polymerizations continues in current studies due to the high development of these systems in most of the technological and scientific fields. [71,72] For some systems, a methodology based on the bulk moments can be used to avoid the addition approximation equation for λ 3 that shows some strong discrepancies. The bulk moments represent the sum of the moment equations for live radicals and dead chains with order G, for example, defining H = 0 for any G (G = 0, 1, 2,…), the addition of Equation ( 8) and ( 9) results in Equation (178) in which the problematic terms are cancelled, and so does the dependency of the higher order moments.…”

Section: Heterophase Polymerization Processes (Hpp)mentioning

confidence: 99%

“…Figure 4B shows the results of this closure technique, compared with the results using the Γ distribution and the plant MW data. Additionally, the expression based on a Gaussian distribution [ 71 ] is shown in Equation (177) in Table 2. The importance of the moment closure for nonlinear polymerizations continues in current studies due to the high development of these systems in most of the technological and scientific fields.…”

Section: Moment Closurementioning

confidence: 99%

Section: Moment Closurementioning

confidence: 99%

See 2 more Smart Citations

The method of moments used in polymerization reaction engineering for 70 years: An overview, tutorial, and minilibrary

Zapata‐González¹,

Saldívar‐Guerra²

2023

Can J Chem Eng

View full text Add to dashboard Cite

In the last seven decades, the method of moments (MoM) has become an invaluable tool in the field of polymerization reaction engineering, due to the simplicity of translating a complex set of population balance equations (PBE) into a system with a limited number of equations. In this work, we offer an overview of the MoM, describing the derivation of the moment equations in a basic kinetic mechanism. Some tools and strategies for the derivation of the moment equations are reviewed and explained in detail, such as the binomial theorem, the method of series expansion and pattern identification (SEPI), extensively used by the community, and a graphical approach of summation inversion. The treatment for multivariate distributions is also exposed, taking advantage of the complete and partial moment techniques. The derivation of the MoM contribution by kinetic mechanisms beyond the basic ones or involving special difficulties, such as depropagation, long chain branching (LCB), random chain scission, LCB and β‐scission, short chain branching (SCB) and scission, internal double bond (IDB) (polymerization), termination by combination, reversible deactivation radical polymerization (RDRP), and intermolecular transesterification reactions (ITRs), are explained in a tutorial way. Additionally, the fundamentals of the MoM in copolymerization and the application of the pseudo‐homopolymerization approach are briefly described. An introduction of the MoM to emulsion polymerization is also presented. Finally, some advanced applications of MoM in recent works are exposed: MoM models with chain‐length dependent or diffusion‐controlled termination, and the extension of the MoM for the prediction of the molecular weight distribution (MWD).

show abstract

Section: Heterophase Polymerization Processes (Hpp)mentioning

confidence: 99%

Section: Moment Closurementioning

confidence: 99%

See 1 more Smart Citation

The method of moments used in polymerization reaction engineering for 70 years: An overview, tutorial, and minilibrary

Zapata‐González¹,

Saldívar‐Guerra²

2023

Can J Chem Eng

View full text Add to dashboard Cite

show abstract

“…For example, published data for the thermal self-initiation differ by orders of magnitude. [22] Further, as illustrated for example in reference, [2] the kinetic coefficients published for the 𝛽 scission reaction differ significantly. The latter may be due to the fact that different strategies were applied: for example (i) kinetic data were derived from high temperature polymerizations up to significant solids content [2,25] or (ii) low conversion pulsed laser-initiated polymerizations (PLP) were carried out.…”

Section: Introductionmentioning

confidence: 99%

“…[16][17][18][19][20][21] Another aspect related to high temperature acrylate polymerizations is the thermal self-initiation. [22][23][24] Its influence on the polymerization rate has to be considered, especially at temperatures of 100°C or higher. While consensus was reached for kinetic coefficients for low temperature polymerizations, the kinetics of high temperature reactions are less established.…”

Section: Introductionmentioning

confidence: 99%

Kinetic Monte Carlo Simulations as a Tool for Unraveling the Impact of Solvent and Temperature on Polymer Topology for Self‐Initiated Butyl Acrylate Radical Polymerizations at High Temperatures

Mätzig

Drache

Drache³

et al. 2023

Macro Theory & Simulations

View full text Add to dashboard Cite

High‐temperature butyl acrylate polymerizations in bulk and in solution are investigated experimentally and by kinetic Monte Carlo (kMC) simulations. The experimental data comprise conversion‐time data, molar mass distributions, and branching levels per polymer chain derived from size‐exclusion chromatography with a multiangle laser light scattering detector. A kMC model is established, which allows for the description of the impact of solvent and temperature on molar mass distribution as well as type and content of macromonomers. Within the study kinetic coefficients for transfer to solvent and the thermal self‐initiation of the monomer are determined according to the Metropolis Hastings algorithm. The kMC simulations provide information, which are otherwise not accessible, for example, the number of branch points per molecule as a function of molar mass or the molar mass distribution of various macromonomer species. Moreover, molar ratios of mid‐chain and chain‐end radicals are at hand for temperatures up to 160°C, which are important for the interpretation of the experimentally and via simulation‐derived polymer topology as a function of molar masses.

show abstract

Access to the β-scission rate coefficient in acrylate radical polymerization by careful scanning of pulse laser frequencies at elevated temperature

et al. 2018

View full text Add to dashboard Cite

show abstract

Correction: Study of n-Butyl Acrylate Self-Initiation Reaction Experimentally and via Macroscopic Mechanistic Modeling Processes 2016, 4, 15

Abstract: We wish to correct Table 5 of the published paper in Processes [1].[...]

Cited by 3 publications

References 1 publication

The method of moments used in polymerization reaction engineering for 70 years: An overview, tutorial, and minilibrary

The method of moments used in polymerization reaction engineering for 70 years: An overview, tutorial, and minilibrary

Kinetic Monte Carlo Simulations as a Tool for Unraveling the Impact of Solvent and Temperature on Polymer Topology for Self‐Initiated Butyl Acrylate Radical Polymerizations at High Temperatures

Access to the β-scission rate coefficient in acrylate radical polymerization by careful scanning of pulse laser frequencies at elevated temperature

Contact Info

Product

Resources

About