Computer Simulation of Vinyl Polymer Tacticity

Radiotis, T.; Brown, Geoffrey

doi:10.1021/ed072p133

Cited by 3 publications

(1 citation statement)

References 0 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…This leads to severe discoloration and loss of physical and mechanical properties [1][2][3][4]. Various defect sites in the polymer chains are thought to be responsible for this instability, such as allylic chlorine [5], tertiary hydrogen and chlorine atoms [6], terminal end groups such as double bonds [7], oxygen containing groups [8], or peroxide residues [9], head-tohead structures [10], and steric order of the monomer (tacticity) [11]. This requires stabilization of the polymer for practically all technical applications.…”

Section: Introductionmentioning

confidence: 99%

Thermal degradation behaviour of poly(vinyl chloride) in the presence of poly(N′-acryloyl benzhydrazide)

Mohamed

Al-mehbad

2009

Polymer Degradation and Stability

View full text Add to dashboard Cite

Section: Introductionmentioning

confidence: 99%

Thermal degradation behaviour of poly(vinyl chloride) in the presence of poly(N′-acryloyl benzhydrazide)

Mohamed

Al-mehbad

2009

Polymer Degradation and Stability

View full text Add to dashboard Cite

Effects of Polymer Isomerism and Conformational Changes

Rudin

1999

Elements of Polymer Science and Engineering

View full text Add to dashboard Cite

Computer Simulations of Microstructure Changes Resulting from the Thermal Degradation of PVC

Radiotis

Brown

1997

Journal of Macromolecular Science, Part A

Self Cite

View full text Add to dashboard Cite

Recent studies of the dehydrochlorination of PVC in the solid state offer convincing evidence in support of a mechanism that involves initiation at gttg -conformations in isotactic stereosequences generally considered to be normal units. Attempts have been made to verify such a mechanism by direct measurements, using solution 13C NMR, of the changes in tacticity that result from the degradation. In this paper, computer simulations are reported that use Monte Car10 methods to simulate preferential degradation at isotactic sequences of various minimum sequence lengths. The results indicate that at the levels of degradation accessible to experimental verification by solution NMR (c 2%), the predicted changes in triad probabilities are close to the limits of experimental error and are not a sensitive indicator of the mechanism. The simulations also indicate that for the degradation to result in polyene sequence lengths that correspond to experimentally determined values requires that the dehydrochlorination include some atactic and syndiotactic sequences which, in turn, reduces the changes in P,,. On the other hand, there are some indications that more specific indications can be tPresent address: Paprican, 570 St. John's Blvd., 744 RADlOTlS AND BROWNobtained from the changes in the probabilities for pentads and longer sequences, provided that appropriate NMR data can be generated.

show abstract

Computer Simulation of Vinyl Polymer Tacticity

Abstract: 170. Statistical description of stereoregularity illustrated through the use of a computer program that uses Bernoullian statistics to simulate the relative handedness of successive monomer units along a polymer chain.

Cited by 3 publications

References 0 publications

Thermal degradation behaviour of poly(vinyl chloride) in the presence of poly(N′-acryloyl benzhydrazide)

Thermal degradation behaviour of poly(vinyl chloride) in the presence of poly(N′-acryloyl benzhydrazide)

Effects of Polymer Isomerism and Conformational Changes

Computer Simulations of Microstructure Changes Resulting from the Thermal Degradation of PVC

Contact Info

Product

Resources

About