Search results for "dynamics"
showing 10 items of 9782 documents
Reaction kinetics in dense two-dimensional polymer solutions : an excimer probe study
1994
We report measurements of the time dependent reaction rate of excimer formation in two-dimensional solutions of a polymerized amphiphile with partially pyrene-labelled chains in monolayers at the air-water-interface. We find a time dependent reaction rate for excimer formation obeying a power law r(t) ∞ t -β . The exponent β has a value of 0.22±0.12. This value is consistent with β=1/4, as has been predicted for bimolecular diffusion-controlled reactions in two-dimensional polymer melts by de Gennes. The measurements demonstrate the usefulness of the excimer technique to explore polymer dynamics
Scaling theory of star polymers and general polymer networks in bulk and semi-infinite good solvents
1988
Theorie d'echelle utilisant l'equivalence entre la fonction generatrice du nombre total de configuration et la fonction de correlation a plusieurs spins du modele de Heisenberg classique a n composantes dans la limite n→0
Third virial coefficient for 4-arm and 6-arm star polymers
2008
We discuss the computation of the third virial coefficient in polymer systems, focusing on an additional contribution absent in the case of monoatomic fluids. We determine the interpenetration ratio and several quantities that involve the third virial coefficient for star polymers with 4 and 6 arms in the good-solvent regime, in the limit of a large degree of polymerization.
GPU Based Molecular Dynamics Simulations of Polymer Rings in Concentrated Solution: Structure and Scaling
2011
We report on equilibrium properties of a concentrated solution of non-concatenated ring polymers by Molecular dynamics simulations using HooMD-blue, a fast implementation on graphics processor units (GPUs). We are able to identify the intermediate scaling regime for the radius of gyration Rg ∝ N as well as indication for a crossover to Rg ∝ N for rings with chain length N in our fully flexible off-lattice polymer model. This crossover takes place between a ring size of 2500 and 7500 monomers for monomer density ρ = 0.5. Our results are in agreement with recent studies for lattice and stiff off-lattice models and show once again that this scaling is not model dependent at all. Furthermore th…
KINETICS OF POLYMER EJECTION FROM CAPSID CONFINEMENT: SCALING CONSIDERATIONS AND COMPUTER EXPERIMENT
2012
We investigate the ejection dynamics of a flexible polymer chain out of confined environment by means of scaling considerations and Monte Carlo simulations. Situations of this kind arise in different physical contexts, including a flexible synthetic polymer partially confined in a nanopore and a viral genome partially ejected from its capsid. In the case of cylindric confinement the entropic driving force which pulls the chain out of the pore is argued to be constant once a few persistent lengths are out of the pore. We demonstrate that in this case the ejection dynamics follows a [Formula: see text]-law with elapsed time t. The mean ejection time τ depends nonmonotonically on chain length…
Scaling behavior of topologically constrained polymer rings in a melt
2014
Large scale molecular dynamics simulations on graphic processing units (GPUs) are employed to study the scaling behavior of ring polymers with various topological constraints in melts. Typical sizes of rings containing $3_1$, $5_1$ knots and catenanes made up of two unknotted rings scale like $N^{1/3}$ in the limit of large ring sizes $N$. This is consistent with the crumpled globule model and similar findings for unknotted rings. For small ring lengths knots occupy a significant fraction of the ring. The scaling of typical ring sizes for small $N$ thus depends on the particular knot type and the exponent is generally larger than 0.4.
Publisher’s Note: “Polymer-specific effects of bulk relaxation and stringlike correlated motion in the dynamics of a supercooled polymer melt” [J. Ch…
2004
a! Present address: Department of Physics, Wesleyan University, Middletown, CT 06459. b!Author to whom correspondence should be addressed. Electronic mail: baschnag@ics.u-strasbg.fr c!Author to whom correspondence should be addressed. Electronic mail: sglotzer@umich.edu FIG. 8. Temperature dependence of the ratio of ^sseg(tstr )& and ^s(tstr )&. tstr max is the peak time of ^sseg& and ^s& at different temperatures. TMCT 50.45. JOURNAL OF CHEMICAL PHYSICS VOLUME 120, NUMBER 14 8 APRIL 2004
Molecular dynamics of solid polymers as revealed by deuteron NMR
1983
Pulsed deuteron NMR spectroscopy is described, which has recently been developed to become a powerful tool for studying molecular dynamics in solid polymers. It is shown that by analyzing the line shapes of2H absorption spectra and spectra obtained via solid echo and spin alignment, respectively, both type and timescale of rotational motions can be determined over an extraordinary wide range of characteristic frequencies, approximately 10 MHz to 1 Hz. By applying these techniques to selectively deuterated polymers, motional mechanisms involving different segments of the monomer unit can be monitored. In addition, motional heterogeneities in glassy polymers can be detected. The information a…
Basic kinetic model for the reaction yielding linear polyurethanes. II
1995
On the basis of the gradual polyaddition kinetic model developed earlier, an attempt was made to provide a generalized mathematical model for the set of reactions yielding linear polyurethanes. The model is a system of first-order ordinary differential equations. It was assumed at the present stage of this model that the rate constants for the reaction considered do not change. The model developed was then solved numerically. Average molecular weight of the polymer and composition data for oligomers were calculated for a constant volume batch reactor and varied process parameters. The GPC method, which was tested for model urethane oligomers, was employed to verify the model developed. The …
Calculation of vapor pressures not requiring the derivatives of the energy of mixing
1997
A method is presented for the calculation of vapor pressures exclusively on the basis of the energy of mixing, the knowledge of chemical potentials is not required. The only condition used for the calculation is the minimum of the energy of mixing of the overall system in equilibrium. The gas phase is treated as an ideal gas, for the liquid phase no specific thermodynamic description is assumed. The method is demonstrated for a mixture of two solvents and one polymer. The system water/poly(ethylene oxide), the thermodynamics of which are described by an equation that can only be solved numerically thus impeding the calculation of chemical potentials, serves as an example. Interaction parame…