Microstructural model for prediction of stress-strain curves of amorphous and semicrystalline elastomers Export

@article{bicerano97, abstract = {A fundamental microstructural model was developed to calculate the stress-strain curves of rubbery amorphous polymers and of semicrystalline polymers with a rubbery amorphous phase by numerical simulations. The rubbery amorphous phase was treated by using a version of the theory of rubber elasticity with finite extensibility. Physical entanglements and chemical crosslinks were both allowed. Slippage was implemented by a Monte Carlo algorithm controlled by kinetic parameters such as the activation energy and activation volume for slippage. The crystalline phase was treated in a very idealized manner, including a crude representation of tie chains but not taking the internal structure of the crystallites into account. A two-dimensional embodiment of the model was implemented into software. For amorphous polymers, while lacking truly quantitative accuracy, the model showed sufficiently good agreement with the experimental trends to be used as a qualitative or semiquantitative predictive tool, and it is currently being used in this manner. The more complex semicrystalline version was less accurate and will need to be improved in future work. Most of the limitations of the semicrystalline version could be ascribed unambiguously to specific simplifications made in the software implementation to reduce the amount of computer time required for the calculations. {\copyright} 1997 John Wiley \& Sons, Inc. J Polym Sci B: Polym Phys 35: 2715-2739, 1997}, address = {The Dow Chemical Company, M. E. Pruitt Research Center, 1776 Building, Midland, Michigan 48674}, author = {Bicerano, Jozef and Grant, Nancy K. and Seitz, Jerry T. and Pant, Krishna}, citeulike-article-id = {3421281}, citeulike-linkout-0 = {http://dx.doi.org/10.1002/(SICI)1099-0488(19971130)35:16%3C2715::AID-POLB13%3E3.0.CO;2-C}, citeulike-linkout-1 = {http://www3.interscience.wiley.com/cgi-bin/abstract/53274/ABSTRACT}, doi = {10.1002/(SICI)1099-0488(19971130)35:16%3C2715::AID-POLB13%3E3.0.CO;2-C}, journal = {Journal of Polymer Science Part B: Polymer Physics}, keywords = {amorphous, elastomers, semicrystalline, strain, stress}, number = {16}, pages = {2715--2739}, posted-at = {2008-10-16 17:16:32}, priority = {2}, title = {Microstructural model for prediction of stress-strain curves of amorphous and semicrystalline elastomers}, url = {http://dx.doi.org/10.1002/(SICI)1099-0488(19971130)35:16%3C2715::AID-POLB13%3E3.0.CO;2-C}, volume = {35}, year = {1997} }

TY - JOUR ID - bicerano97 L3 - citeulike-article-id:3421281 N2 - A fundamental microstructural model was developed to calculate the stress-strain curves of rubbery amorphous polymers and of semicrystalline polymers with a rubbery amorphous phase by numerical simulations. The rubbery amorphous phase was treated by using a version of the theory of rubber elasticity with finite extensibility. Physical entanglements and chemical crosslinks were both allowed. Slippage was implemented by a Monte Carlo algorithm controlled by kinetic parameters such as the activation energy and activation volume for slippage. The crystalline phase was treated in a very idealized manner, including a crude representation of tie chains but not taking the internal structure of the crystallites into account. A two-dimensional embodiment of the model was implemented into software. For amorphous polymers, while lacking truly quantitative accuracy, the model showed sufficiently good agreement with the experimental trends to be used as a qualitative or semiquantitative predictive tool, and it is currently being used in this manner. The more complex semicrystalline version was less accurate and will need to be improved in future work. Most of the limitations of the semicrystalline version could be ascribed unambiguously to specific simplifications made in the software implementation to reduce the amount of computer time required for the calculations. © 1997 John Wiley & Sons, Inc. J Polym Sci B: Polym Phys 35: 2715-2739, 1997 IS - 16 JF - Journal of Polymer Science Part B: Polymer Physics AD - The Dow Chemical Company, M. E. Pruitt Research Center, 1776 Building, Midland, Michigan 48674 EP - 2739 TI - Microstructural model for prediction of stress-strain curves of amorphous and semicrystalline elastomers VL - 35 SP - 2715 KW - amorphous KW - elastomers KW - semicrystalline KW - strain KW - stress AU - Bicerano, Jozef AU - Grant, Nancy AU - Seitz, Jerry AU - Pant, Krishna PY - 1997/// UR - http://dx.doi.org/10.1002/(SICI)1099-0488(19971130)35:16%3C2715::AID-POLB13%3E3.0.CO;2-C ER -