Study of estane polyester/polyurethane block copolymer by use of 2D-IR and DMA-FTIR: Understanding of polymer rheology from molecular dynamics

Wang, Haochuan; Palmer, Richard A.; Schoonover, Jon R.; Graff, Darla K.
March 2000
AIP Conference Proceedings;2000, Vol. 503 Issue 1, p31
Academic Journal
In this paper, we demonstrate the use of the combination of dynamic mechanical analysis (DMA) and Fourier transform Infrared (FTIR) in simultaneous mechanical and dynamic IR spectral measurement. The DMA is performed on polymer films in the tensile geometry with IR measurement in the transmission mode. By careful analysis of the IR data, dynamic molecular motion in response to the deformation can be visualized and used to explain the viscoelastic behavior of the polymer sample obtained from the analysis of the stress and strain responses. The DMA-FTIR technique is demonstrated in both the oscillatory small deformation mode of sinusoidal modulation and the linear large deformation mode of creep/recovery studies of an industrially important elastomer, Estane. Conventional 2D-correlation analysis is used to analyze the in-phase and quadrature data obtained from the conventional experiment; while generalized 2D-correlation is demonstrated by analyzing the multiple spectra obtained at different times during the creep/recovery process. © 2000 American Institute of Physics.


Related Articles

  • Vacancy mobility in polymer crystals. Zubova, E. A.; Manevich, L. I.; Balabaev, N. K. // Journal of Experimental & Theoretical Physics;Mar99, Vol. 88 Issue 3, p586 

    A molecular-dynamics model of the behavior of a vacancy in the chain of an equilibrium polymer crystal (the "collective atom" approximation for polyethylene) is developed for the first time. It is shown that a defect of this type in a polymer crystal has a soliton mobility, as opposed to...

  • Self-organization and the formation of helicoidal polymer structures. Mel’ker, A. I.; Vorob’eva, T. V. // Physics of the Solid State;Oct97, Vol. 39 Issue 10, p1685 

    The self-organization of three-dimensional anharmonic chains of atoms with strong interactions between nearest-neighbor atoms and various types of weak interactions between nonnearest neighbors is investigated by the method of molecular dynamics. It is observed that in all cases short helical...

  • Molecular dynamics simulation of diffusion of simple gas molecules in a short chain polymer. Takeuchi, Hisao; Okazaki, Keiji // Journal of Chemical Physics;5/1/1990, Vol. 92 Issue 9, p5643 

    Diffusion of simple gas molecules in polymers has been studied using molecular dynamics (MD) computer simulations. Two model systems were used, each composed of short chain molecules having twenty segments and small molecules interacting with the segments. One of the systems is a mimic of...

  • Extended ensemble molecular dynamics method for constant strain rate uniaxial deformation of... Liu Yang; Srolovitz, David J.; Yee, Albert F. // Journal of Chemical Physics;9/15/1997, Vol. 107 Issue 11, p4396 

    Describes a novel molecular dynamics method to simulate the unitaxial deformation of an amorphous polymer. Basis of the method on a rigorously defined statistical mechanics ensemble appropriate for describing an isothermal displacement controlled uniaxial stress mechanical test; Set of motion...

  • Molecular dynamics investigation of dynamic scaling for dilute polymer solutions in good solvent conditions. Pierleoni, Carlo; Ryckaert, Jean-Paul // Journal of Chemical Physics;6/1/1992, Vol. 96 Issue 11, p8539 

    A molecular dynamics (MD) investigation of dynamic properties of a single freely jointed N mer (N=6,9,20,30) in explicit solvent at high dilution and in good solvent conditions is presented. Our aim is to establish the validity of scaling laws for short chains so that all experiments are...

  • Path-integral molecular-dynamics calculation of the conduction-band energy minimum V0 of excess electrons in fluid argon. Lopez-Castillo, J.-M.; Frongillo, Y.; Plenkiewicz, B.; Jay-Gerin, J.-P. // Journal of Chemical Physics;6/15/1992, Vol. 96 Issue 12, p9092 

    Using path-integral molecular-dynamics simulations, we calculate the conduction-band energy minimum V0 (relative to vacuum) of an excess electron injected in fluid argon over a range of densities (n) from the gas phase to the liquid near the triple point. An accurate pseudopotential is employed...

  • Strongly charged flexible polyelectrolytes in poor solvents: Molecular dynamics simulations with explicit solvent. Chang, Rakwoo; Yethiraj, Arun // Journal of Chemical Physics;4/8/2003, Vol. 118 Issue 14, p6634 

    The behavior of salt-free solutions of charged flexible polymer molecules in poor solvents is studied using molecular dynamics simulations. The polymer molecules are modeled as chains of charged spheres, the counterions as charged spheres, and the solvent molecules are incorporated explicitly...

  • Solute mobility and packing fraction: A new look at the Doolittle equation for the polymer glass transition. Budzien, Joanne; McCoy, John D.; Adolf, Douglas B. // Journal of Chemical Physics;11/1/2003, Vol. 119 Issue 17, p9269 

    Molecular dynamics simulations of the diffusion of penetrants in bead-spring polymers were performed along both constant volume and constant pressure paths at several temperatures. By using an effective hard sphere diameter, the packing fractions of these systems were calculated. It was found...

  • Molecular dynamics model of absorption of water in polymers. Vallés, J. L.; Halley, J. W. // Journal of Chemical Physics;1/1/1990, Vol. 92 Issue 1, p694 

    We report a molecular dynamics simulation of the absorption of water in polymers. We embed a relatively large repeat unit containing several characteristic chemical groups in a molecular dynamics model of water which includes the internal dynamics of the water molecule. Potentials describing the...

  • Molecular dynamics simulations of the structure and dynamics of confined polymer melts. Bitsanis, I.; Hadziioannou, G. // Journal of Chemical Physics;3/15/1990, Vol. 92 Issue 6, p3827 

    We performed a series of molecular dynamics simulations investigating the static and dynamic properties of polymer melts confined between planar solid surfaces. The solid–melt interface was found to be very narrow (approximately two segment diameters) and independent of chain length....


Read the Article


Sorry, but this item is not currently available from your library.

Try another library?
Sign out of this library

Other Topics