Quantitative bridging between full-atomistic and bead-spring models for polybutadiene and poly(butadiene–styrene) copolymers

2021 ◽  
Vol 154 (4) ◽  
pp. 044901
Author(s):  
Akinori Baba ◽  
Yuichi Masubuchi
1966 ◽  
Vol 39 (3) ◽  
pp. 643-650
Author(s):  
A. N. Gent ◽  
J. E. McGrath

Abstract The rates of growth of single ozone cracks have been measured for vulcanizates of a series of butadiene—styrene copolymers, over a temperature range from − 5° C to 95° C. The rates appear to be determined by two mechanisms. At low temperatures, near the glass transition temperature, they are quantitatively related to the segmental mobility of the polymer. The principal rate-controlling step in this case is concluded to be movement of the polymer chains after scission to yield new surface. At high temperatures the rate approaches a limiting value of 10−3 cm/sec/mg of ozone/1. This is about 1/1000 of the maximum possible value when instantaneous reaction of one incident ozone molecule causes scission of one network chain.


1969 ◽  
Vol 42 (3) ◽  
pp. 918-923 ◽  
Author(s):  
J. N. Anderson ◽  
F. C. Weissert ◽  
C. J. Hunter

Abstract The Gordon—Taylor—Wood relationship between composition and glass temperature has been used as the basis of a DTA method for block styrene analysis in butadiene styrene copolymers having the same microstructure and a similar compositional distribution. The determined K value of the Gordon—Taylor—Wood equation for these polymers prepared with a butyllithium catalyst is in fair agreement with values previously determined for emulsion butadiene styrene copolymers. The total styrene content of the copolymer was determined using the refractive index method, and the composition of the “non-block” segment of the copolymer was obtained from DTA measurement using a Tg as a function of composition graph The amount of block styrene can then be obtained by difference. Evidence is presented supporting the validity of the method, and the results are compared with those obtained by a chemical method which involved polymer degradation by a hydroperoxide in the presence of osmium tetroxide. The thermal analysis requires approximately one-half hour. All measurements are made on the dry polymer eliminating the necessity of redissolving the polymer as required by most other methods of analysis.


1970 ◽  
Vol 43 (5) ◽  
pp. 1138-1153 ◽  
Author(s):  
V. D. Mochel ◽  
B. L. Johnson

Abstract A method is described for determining styrene sequence distribution in butadiene-styrene copolymers. An analog computer is used to resolve overlapped peaks in the styrene aromatic proton NMR spectrum. In n-BuLi copolymers a quite quantitative distinction can be made between “short” sequences, containing two and three styrene units, and “long” sequences, containing more than three units. With this method it is possible to determine experimentally the styrene-centered triad distributions and approximate styrene sequence distributions of butadiene—styrene copolymers. Agreement between calculated and NMR-curve analysis results is good, especially for n-butyllithium-catalyzed butadiene—styrene copolymers.


1986 ◽  
Vol 28 (7) ◽  
pp. 1645-1652 ◽  
Author(s):  
M.M. Mogilevich ◽  
Yu.Ye. Shapiro ◽  
V.B. Manerov ◽  
G.V. Korolev ◽  
T.A. Yermilova

1985 ◽  
Vol 58 (4) ◽  
pp. 815-829 ◽  
Author(s):  
Chin-Yuan Ma ◽  
James L. White ◽  
Frederick C. Weissert ◽  
Avraam I. Isayev ◽  
Nobuyuki Nakajima ◽  
...  

Abstract A basic study of flow patterns in elastomers in the entrance region of a die has been carried out for various gum elastomers including emulsion and solution butadiene—styrene copolymers, polybutadiene, and natural rubber. All exhibit streamline flow into the entrance with the exception of a cold mastication degraded natural rubber which gave evidence of vortices in corners. A study of a die with a sharp diverging region showed dead spaces for all the elastomers. Carbon black compounds all exhibited converging streamline flow in a 180° entrance angle die and stagnant regions in the sharply diverging die. Evidence based on marker motions has been presented for slip in elastomer compounds in the entrance region.


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