The condensed phase of the alternating copolyester of p-hydroxybenzoic acid (HBA) and 2-hydroxy-6-naphthoic acid (HNA) is investigated by studying the room temperature packing arrangement of the copolymer chains. A molecular modeling methodology is employed with a Monte Carlo sampling of the configu
A Monte Carlo Simulation of Homogeneous Crystallization in Confined Spaces: Effect of Crystallization Kinetics on the Avrami Exponent
β Scribed by Yury Yuryev; Paula Wood-Adams
- Publisher
- John Wiley and Sons
- Year
- 2010
- Tongue
- English
- Weight
- 490 KB
- Volume
- 19
- Category
- Article
- ISSN
- 1022-1344
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β¦ Synopsis
Abstract
Homogeneous nucleation in polymers and subsequent crystallization in spaces confined relative to spherulitic dimensions in one direction has been simulated for a wide range of nucleation and growth rates. An empirical equation based on simulation results relating an Avrami exponent of crystallization to growth and nucleation rates along with the characteristic dimension of crystallizing volume has been proposed. It was found that for ideal homogeneous crystallization, the Avrami exponent can be significantly lower than the anticipated values for free unconstrained growth; therefore, all crystallization conditions and parameters must be taken into account in order to make a conclusion on the character of the observed crystallization.
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The effects of the reactivity of a crosslinking agent on the microphaseseparated structure of sequential interpenetrating polymer networks are analyzed with a Monte Carlo simulation technique. The simulation results showed that the maximum structure factor decreases with an increasing crosslinking r
Measurements of the ultrasonic velocity as a function of time (at \(6.0^{\circ} \mathrm{C}\) ) have been used to monitor the kinetics of crystallization of oil droplets in \(n\)-hexadecane-in-water emulsions containing a mixture of solid and liquid droplets. Crystallization is induced in liquid drop
## Abstract **Summary:** The effects of copolymer sequence distribution on the dynamics of a copolymer in a homopolymer matrix are studied using computer simulations within the framework of the bondβfluctuation model on blends containing low concentrations (10%) of copolymers dispersed in a homopol