Precise dipolar coupling constant distribution analysis in proton multiple-quantum NMR of elastomers.

作者: Walter Chassé , Juan López Valentín , Geoffrey D. Genesky , Claude Cohen , Kay Saalwächter

DOI: 10.1063/1.3534856

关键词:

摘要: In this work we present an improved approach for the analysis of 1H double-quantum nuclear magnetic resonance build-up data, mainly determination residual dipolar coupling constants and distributions thereof in polymer gels elastomers, yielding information on crosslink density potential spatial inhomogeneities. We introduce a new generic function, use as component fitting function linear superpositions, or kernel fast Tikhonov regularization (ftikreg). As opposed to previously used inverted Gaussian based second-moment approximation, method yields faithful constant distributions, limitations limit are now lifted. A robust proper estimation error parameter is established, demonstrated different inhomogeneous elastomers with distributions.

参考文章(33)
Robert S. Maxwell, Sarah C. Chinn, David Solyom, Rebecca Cohenour, Radiation induced crosslinking in a silica-filled silicone elastomer as investigated by multiple quantum H NMR Macromolecules. ,vol. 38, pp. 7026- 7032 ,(2005) , 10.1021/MA047625S
Kay Saalwächter, Andreas Heuer, Chain dynamics in elastomers as investigated by proton multiple-quantum NMR Macromolecules. ,vol. 39, pp. 3291- 3303 ,(2006) , 10.1021/MA052567B
Kay Saalwächter, Artifacts in Transverse Proton NMR Relaxation Studies of Elastomers Macromolecules. ,vol. 38, pp. 1508- 1512 ,(2005) , 10.1021/MA0478005
Jürgen Weese, A regularization method for nonlinear ill-posed problems Computer Physics Communications. ,vol. 77, pp. 429- 440 ,(1993) , 10.1016/0010-4655(93)90187-H
M. Feike, D.E. Demco, R. Graf, J. Gottwald, S. Hafner, H.W. Spiess, Broadband Multiple-Quantum NMR Spectroscopy Journal of Magnetic Resonance, Series A. ,vol. 122, pp. 214- 221 ,(1996) , 10.1006/JMRA.1996.0197
R. Graf, D.E. Demco, S. Hafner, H.W. Spiess, Selective Residual Dipolar Couplings in Cross-Linked Elastomers by 1H Double-Quantum NMR Spectroscopy Solid State Nuclear Magnetic Resonance. ,vol. 12, pp. 139- 152 ,(1998) , 10.1016/S0926-2040(98)00058-7
J. P. Cohen Addad, B. Phan Thanh, H. Montes, Evidence for a Linear NMR−Elasticity Interrelationship in Polymeric Gels Macromolecules. ,vol. 30, pp. 4374- 4380 ,(1997) , 10.1021/MA961589I
M. Lang, J.-U. Sommer, Analysis of entanglement length and segmental order parameter in polymer networks. Physical Review Letters. ,vol. 104, pp. 177801- ,(2010) , 10.1103/PHYSREVLETT.104.177801
K. Saalwächter, M. Klüppel, H. Luo, H. Schneider, Chain order in filled SBR elastomers: a proton multiple-quantum NMR study Applied Magnetic Resonance. ,vol. 27, pp. 401- 417 ,(2004) , 10.1007/BF03166740