A mathematical model of hetero-phase polycondensation processes

Sharikov, Yu. V.; Fedotova, M.I.; Sokolov, L.B.

doi:10.1016/0032-3950(73)90369-9

Cited by 7 publications

(6 citation statements)

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“…It was also found that the polymerization degree reaches a certain limit. This result is most probably caused by monomer B exhaustion in the droplet, though Sharikov et al35 suggest another explanation, namely, the influence of the diffusion factors.…”

Section: Modeling Of Polycondensation In a Diluted Solutionmentioning

confidence: 97%

“…The first local modeling based on numerical solution of reaction–diffusion equations was performed by Sharikov et al35 They studied polycondensation in a droplet of reaction phase accompanied by a limited molecular diffusion of functional groups of the monomers and polymer. The kinetic model of polycondensation takes into account the substitution effect.…”

Section: Modeling Of Polycondensation In a Diluted Solutionmentioning

confidence: 99%

“…They are much easier to integrate, but the information concerning the molecular mass distribution is lost. To find the polymerization degree, an additional reaction–diffusion equation for the polymer concentration n was introduced in 35. The resulting system of five equations …”

Section: Modeling Of Polycondensation In a Diluted Solutionmentioning

confidence: 99%

“…The radial distributions of monomer and polymer concentrations for a number of normalized diffusion, kinetic, and concentration parameters were studied in the work by Sharikov et al35 Though only a limited range of possible conditions was inspected, important conclusions were made therein. It was shown that the polymer can be synthesized in case of nonstationary diffusion, when the reaction zone drifts from the surface toward the droplet's center.…”

Section: Modeling Of Polycondensation In a Diluted Solutionmentioning

confidence: 99%

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Mathematical modeling of interfacial polycondensation

Berezkin

Khokhlov

2006

J Polym Sci B Polym Phys

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The works on mathematical modeling of interfacial polycondensation are reviewed over the period since 1970s up to now. Attention is primarily paid to the techniques of local and macrokinetic modeling. Two approaches to the theoretical description of polycondensation have been formed up to date. The first one is based on analytical or semianalytical solution of differential balance equations using the stationary mass transfer approximation. The second one consists in numerical solution of the system of reaction-diffusion equations for the diffusion boundary layer of the reaction phase. The advantages and drawbacks of these approaches, specific features of their realization, basic results, as well as ways of combining these methods are discussed. A possibility of building a general model of interfacial polycondensation as a hierarchical combination of kinetic, local, and macrokinetic models is shown.

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Section: Modeling Of Polycondensation In a Diluted Solutionmentioning

confidence: 97%

Section: Modeling Of Polycondensation In a Diluted Solutionmentioning

confidence: 99%

Section: Modeling Of Polycondensation In a Diluted Solutionmentioning

confidence: 99%

Section: Modeling Of Polycondensation In a Diluted Solutionmentioning

confidence: 99%

See 2 more Smart Citations

Mathematical modeling of interfacial polycondensation

Berezkin

Khokhlov

2006

J Polym Sci B Polym Phys

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“…Since the pioneering work by Sharikov et al., the most reliable theoretical approach to IP was based on the numerical solution of strongly nonlinear reaction-diffusion equations. Early models neglected all above-mentioned effects including precipitation of a polymer product.…”

Section: Introductionmentioning

confidence: 99%

Effect of Cross-Linking on the Structure and Growth of Polymer Films Prepared by Interfacial Polymerization

Berezkin

Kudryavtsev

2015

Langmuir

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Interfacial polymerization of tri- and bifunctional monomers (A3B2 polymerization) is investigated by dissipative particle dynamics to reveal an effect of cross-linking on the reaction kinetics and structure of the growing polymer film. Regardless of the comonomer reactivity and miscibility, the kinetics in an initially bilayer melt passes from the reaction to diffusion control. Within the crossover period, branched macromolecules undergo gelation, which drastically changes the scenario of the polymerization process. Comparison with the previously studied linear interfacial polymerization (Berezkin, A. V.; Kudryavtsev, Y. V. Linear Interfacial Polymerization: Theory and Simulations with Dissipative Particle Dynamics J. Chem. Phys. 2014, 141, 194906) shows similar conversion rates but very different product characteristics. Cross-linked polymer films are markedly heterogeneous in density, their average polymerization degree grows with the comonomer miscibility, and end groups are mostly trapped deeply in the film core. Products of linear interfacial polymerization demonstrate opposite trends as they are spontaneously homogenized by a convective flow of macromolecules expelled from the reactive zone to the film periphery, which we call the reactive extrusion effect and which is hampered in branched polymerization. Influence of the comonomer architecture on the polymer film characteristics could be used in various practical applications of interfacial polymerization, such as fabrication of membranes, micro- and nanocapsules and 3D printing.

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The basic principles of non-equilibrium polycondensation

Виноградова

1977

Polymer Science U.S.S.R.

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A mathematical model of hetero-phase polycondensation processes

Cited by 7 publications

References 0 publications

Mathematical modeling of interfacial polycondensation

Mathematical modeling of interfacial polycondensation

Effect of Cross-Linking on the Structure and Growth of Polymer Films Prepared by Interfacial Polymerization

The basic principles of non-equilibrium polycondensation

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