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Chain dynamics

Section 6.11 is devoted to molecular mobility and, in it, the properties of macromolecular chains in filled systems are discussed. This section includes a brief evaluation of chain dynamics in relationship to weak and strong bondings of polymer chains which were introduced as a concept in the previous paragraphs. [Pg.373]

Based on NMR studies, which play a prominent role in clarifying the mechanisms of interaction, monomeric units (or interacting segments) can be divided into three groups  [Pg.373]

The importance of this classification is in characterizing the dynamics of dif-fusional processes and the strength of topological constraints to which the monomeric units (chain segments) are exposed. [Pg.374]


Schneider D M, Deliwo M J and Wand A J 1992 Fast internal main-chain dynamics of human ubiquitin Biochemistry 31 3645-52... [Pg.1518]

Forbes M D E, Avdievich N I, Schulz G R and Ball J D 1996 Chain dynamics cause the disappearance of spin-correlated radical pair polarization in flexible biradicals J. Phys. Chem. 100 13 887-91... [Pg.1620]

Fig. 13 shows this autocorrelation function where the time is scaled by mean square displacement of the center of mass of the chains normalized to Ree)- All these curves follow one common function. It also shows that for these melts (note that the chains are very short ) the interpretation of a chain dynamics within the Rouse model is perfectly suitable, since the time is just given within the Rouse scaling and then normalized by the typical extension of the chains [47]. [Pg.504]

Clearly, both the pivot and the slithering snake algorithms are incapable of reproducing true chain dynamics at molecular basis, covering the time range of typical chain relaxation times. Therefore, in the following we focus on two alternative methods, broadly used at present to this end. [Pg.563]

K. Binder, P. Y. Lai, J. Wittmer. Monte Carlo simulations of chain dynamics in polymer brushes. Faraday Discuss Chem Sci 95 97-109, 1994. [Pg.624]

A. Milchev, K. Binder. Polymer solutions confined in slit-hke pores with attractive walls An off-lattice Monte Carlo study of static properties and chain dynamics. J Computer-Aided Mater Des 2 167-181, 1995. [Pg.624]

Flow-induced degradation is intimately related to the nonequilibrium conformation of polymer coils and any attempt to interpret the process beyond the phenomenological stage would be incomplete without a sound understanding of chain dynamics. To make the paper self-contained and to provide a theoretical basis for the discussion, we have included some fundamental models of polymer dynamics in the next section which may also serve as a guideline for future work in the field of polymer degradation in flow. For the first-time reader, however, this section is not absolutely necessary. Further, any reader familiar with molecular rheology or interested only in experimental results can skip this section, only to go back whenever a reference is needed. [Pg.78]

The static properties of an isolated chain constitute a good starting point to study polymer dynamics many of the features of the chain in a quiescent fluid could be extrapolated to the kinetics theories of molecular coil deformation. As a matter of fact, it has been pointed out that the equations of chain statistics and chain dynamics are intimately related through the simplest notions of graph theory [16]. [Pg.78]

To study processes which affect the end-to-end vector r, it is sometimes informative to consider only the two beads localized at each chain end and connected by a single spring. This model, known as the elastic dumbbell, was originally proposed by Kuhn over half a century ago [40] and constitutes the simplest model of chain dynamics in flow. [Pg.88]

Urry, D.W., Entropic elastic processes in protein mechanisms. 1. Elastic structures due to an inverse temperature transition and elasticity due to internal chain dynamics, J. Prot. Chem., 7, 1-34, 1988. [Pg.272]

The scaling results above all pertain to local segmental relaxation, with the exception of the viscosity data in Figure 24.5. Higher temperature and lower times involve the chain dynamics, described, for example, by Rouse and reptation models [22,89]. These chain modes, as discussed above, have different T- and P-dependences than local segmental relaxation. [Pg.667]

Horinaka, J., Ono, K. and Yamamoto, M. (1995) Local chain dynamics of syndiotactic poly(methyl methacrylate) studied by the fluorescence depolarization method. Polym. J., 27, 429-435. [Pg.70]

Bahar, /., Erman, B, and Monnerie, L Effect of Molecular Structure on Local Chain Dynamics Analytical Approaches and Computational Methods. Vol. 116 pp. 145-206,... [Pg.206]

The hydrodynamic equations can be derived from the MPC Markov chain dynamics using projection operator methods analogous to those used to obtain... [Pg.104]

Dlugosz M, Antosiewicz JM (2005) Effects of solute-solvent proton exchange on polypeptide chain dynamics A constant-pH molecular dynamics study. J Phys Chem B 109 13777-13784. [Pg.280]

In summary, the chain dynamics for short times, where entanglement effects do not yet play a role, are excellently described by the picture of Langevin dynamics with entropic restoring forces. The Rouse model quantitatively describes (1) the Q-dependence of the characteristic relaxation rate, (2) the spectral form of both the self- and the pair correlation, and (3) it establishes the correct relation to the macroscopic viscosity. [Pg.22]

Long-chain dynamics in the presence of fixed stress points (entanglements)... [Pg.40]

Fig. 20. Single-chain dynamic structure factor of the Ronca model as a function of the Rouse variable for different values of Qdt (dt tube diameter dt = d). (Reprinted with permission from [50]. Copyright 1983 American Institute of Physics, Woodbury N.Y.)... Fig. 20. Single-chain dynamic structure factor of the Ronca model as a function of the Rouse variable for different values of Qdt (dt tube diameter dt = d). (Reprinted with permission from [50]. Copyright 1983 American Institute of Physics, Woodbury N.Y.)...
Under -conditions the situation is more complex. On one side the excluded volume interactions are canceled and E,(c) is only related to the screening length of the hydrodynamic interactions. In addition, there is a finite probability for the occurrence of self-entanglements which are separated by the average distance E,i(c) = ( (c)/)1/2. As a consequence the single chain dynamics as typical for dilute -conditions will be restricted to length scales r < (c) [155,156],... [Pg.109]

Transition in the Single Chain Dynamics owing to the Screening of Hydrodynamic Interactions... [Pg.112]

The observation of single-chain dynamics in semi-dilute solutions requires contrast matching and labelling. In the case of PDMS this can be achieved using... [Pg.116]


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Chain Dynamics in Bulk BPA-PC

Chain Dynamics in Pores (Artificial Tubes)

Chain conformational dynamics

Chain dynamics INDEX

Chain dynamics diffusion constant

Chain dynamics length scales

Chain dynamics polymer solutions

Chain dynamics relaxation

Chain dynamics relaxation, Rouse theory

Chain dynamics segmental mobility

Chain dynamics time-correlation function

Chain dynamics, theory

Chain length dynamic

Chain-end Dynamics (Whip Model)

Chain-end dynamics

Collapse chain dynamics

Direct Dynamics closed-chain

Direct Dynamics for Single Closed Chains

Direct Dynamics for Single Open Chains

Direct Dynamics open-chain

Dynamic Mechanical Analysis, chain flexibility

Dynamic Simulation Algorithm for a Single Closed Chain

Dynamic simulation closed-chain

Dynamic simulation of a single closed chain

Dynamic simulation of simple closed-chain

Dynamic simulation open-chain

Dynamic structure factor single chain

Dynamic structure factors reptating chain

Dynamics Side-chain

Dynamics of Chains in Dilute Solutions

Dynamics of Entangled Course-Grained Chains

Dynamics of Wormlike Chains

Dynamics of a Confined Polymer Chain

Dynamics of a single entangled chain

Effective chain dynamics, dilute polyelectrolyte

Effective chain dynamics, dilute polyelectrolyte solutions

General properties single-chain dynamics

Hydrocarbon chain dynamics

Isotactic polypropylene solid-state chain dynamics

Long Chain Dynamics

Model for Chain Dynamics

Modeling of Chain Dynamics and Predictions for NMR Measurands

Molecular dynamics chain force

Molecular dynamics chain molecules

Molecular dynamics chain scissions

Monte Carlo Sampling of the Single-Chain Partition Function and Self-Consistent Brownian Dynamics

NMR studies of local dynamics in side chain thermotropic polymers

NSE Results on Chain Specific Effects Limiting the Rouse Dynamics

Open chain dynamics

Polymer chains, dynamics ideal

Polymer chains, dynamics realistic

Polymer dynamics chain modes

Polymers chain dynamics

Pores, chain dynamics

Primitive chain dynamics

Rigid-chain polymers dynamics

Short Chain Dynamics

Side-chain torsion dynamics

Simple closed-chain mechanism dynamic equations

Simple closed-chain mechanism dynamic simulation

Single chain dynamics

Single closed chain dynamic simulation

Supply Chain Security A Dynamic Capabilities Approach

Supply chain dynamics

Supply chain management dynamics

Swollen chain dynamics

The Dynamics of a Primitive Chain

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