Recent Advances in the Low-Field NMR Characterization of Polymeric Soft Materials Kay Saalwächter
|
|
- Wilfrid Tyler
- 6 years ago
- Views:
Transcription
1 Recent Advances in the Low-Field NMR Characterization of Polymeric Soft Materials Kay Saalwächter Low-resolution proton time-domain NMR Basic experiments and industrial applications - Chemometrics - NMR cryoporometry Advanced experiments Examples: - polymer crystallization - domain sizes in block copolymers - structure and dynamics of elastomers - gelation Conclusions
2 Time-domain NMR typical FID of a liquid or a rubber: T 2 * ms (1/πT 2 * 0.5 khz) shim- (B 0 homogeneity-) limited! compare: σ = 5 ppm 20 MHz 5 ppm = 100 Hz! most important aspect: initial FID intensity = integrated signal! FT
3 Mobility contrast reflected in the FID frequency domain rigid organic solid (crystalline, below T g ) ~ 20 khz liquid, oil, polymer melt, elastomer ~ Hz time domain ~ 10 µs ~ 500 µs (shim!) e.g. semicrystalline polymer, block copolymer Σ two-component decay food industry applications: solid fat content (SFC) in greases water content in bread
4 Manipulation by pulse sequences B 0 T 1 process B 0 90 pulse apparent rd FID T 2 process (B (recycle delay) 0 inhom.) more sophisticated experiments: rd some pulse (sequence) some other pulse (sequence) FID fast (MHz) dynamics: measure T 1 inversion recovery rd 180 pulse τ I = f(τ) slow (khz) dynamics: measure real T 2 Hahn echo (alt.: CPMG, multiple echoes) rd now also: more reliable separation of multiple mobile components! τ amplitude 180 pulse I = f(τ) τ fast decay intermediate decay slow decay time τ N
5 Other industrial applications Pharmaceutical Ind. Petroleum Industry Medical Research e.g. moisture in powders (free & bound) Consumer Products e.g. total hydrogen content of distillates e.g. live mice analyzer Polymer Applications e.g. fluoride in toothpaste
6 Chemometrics e.g., water, oil, and protein contents in seeds via T 1 or T 2 (inv.rec. or CPMG) amplitude fast decay intermediate decay slow decay multi-exponential fitting can be ambiguous! time idea: find sub-curves by linear-algebra techiques (principal-component analysis, PCA): K fixed time points N reference samples (known contents), a n data vectors to model an unknown a, T can often be a 2xK matrix, 2 principal components (PC1,2) and subcurves (p 1,2 ) are sufficient! eigenvectors (subcurves) n N p 1 p 2 k K A P PC1 0 0 PC2 0 0 T residuals, noise E
7 Applications of chemometrics oil seed treatment: water content of fish: T 1 H.T. Pedersen, L. Munck, S.B. Engelsen, J. Am. Oil Chem. Soc.. 77 (2000), T 2 S.M. Jepsen, H.T. Pedersen, S.B. Engelsen, J. Sci.. Food Agric.. 79 (1999),
8 NMR cryoporometry Gibbs-Thompson: melting point depression of a finite-sized crystal: d 1 simple experiment: π/2 π d 2 rd τ τ remaining liquid (water) signal = f(t) reconstruct pore size distribution! NMR gas sorption (BET) J.H. Strange, M. Rahman, E.G. Smith, Phys. Rev. Lett.. 71 (1993),
9 NMR cryoporometry decomposition of pore-size mixtures: J.H. Strange, M. Rahman, E.G. Smith, Phys. Rev. Lett.. 71 (1993),
10 Advanced experiments polymer crystallinity and amorphous-phase mobility: measure dipolar-refocused FID and T 2 MSE-CPMG rd MSE FID τ τ τ I = f(nτ) domain sizes: measure spin diffusion improveddipolarfilter sequence rd selection spin diffusion τ diff MSE I mobile = f(τ diff ) network structure and dynamics: measure weak dipolar rd couplings MQ experiment I = f(τ DQ excitation DQ reconversion ) DQ τ DQ τ DQ
11 1 H NMR detection of polymer crystallization an old quantification problem dead time! f τ d c f a traditional partial solution solid echo x τ se ± y t=0 t=0 advanced solution mixed magic τ CPMG φ sandwich 1 echo φ 4 τ' 2τ 2τ τ τ initial φ 4 τ CPMG φ 4 t=0 N /2 φ 2 φ 3 φ 3 φ 3 φ 3 -φ 3 -φ 3 -φ 3 -φ 3 φ 2 τ' τ φ 2 τ φ τ φ 2 τ φ 2 τ φ 2 τ φ 2 τ φ τ φ 2 τ φ τ φ τ n MSE n MSE A. Maus. C. Hertlein, KS, Macromol. Chem. Phys. 207 (2006), 1150
12 Isothermal crystallization kinetics on the minispec poly(ε-caprolactone) at 40 C φ c dead time! magic echo improved method: signal / a.u. φ a t=0 N FID-CPMG 2½ h delay / ms signal / a.u t=0 N crystallinity MSE-CPMG amorphous phase mobility delay / ms A. Maus. C. Hertlein, KS, Macromol. Chem. Phys. 207 (2006), 1150
13 Polymer crystallization: the problem
14 Polymer crystallization: spherulitic lamellar growth µm-mm scale: spherulites sub-µm scale: lamellae
15 Polymer crystallization: possible scenarios reeling-in, adjacent re-entry solidification model, fringed micelles, no large-scale diffusion new ideas: Olmsted et al. 1998: spinodal-like process? Strobl 2000: mesomorphic pre-phase?
16 Field (in)dependence and morphology effect spp crystallized at differect T c f c = 21.6% f c = 24.5% 20 MHz norm. intensity f m = 64% f m = 61% T 50% 0.43 ms 0.2 T 50% 0.28 ms 500 MHz norm. intensity time / ms f c = 20.6% f c = 23.4% f m = 64% f m = 63% T 50% 0.30 ms } 100 µs 200 µs T c = 388 K 400 µs 100 µs 200 µs } T c = 368 K 400 µs T 50% 0.54 ms clear influence of morphology! lower T c faster cryst., solidificationtype more confined chains, faster relaxation time / ms A. Maus. C. Hertlein, KS, Macromol. Chem. Phys. 207 (2006), 1150
17 Crystallization isotherms lin crystalline fraction f f c secondary crystallization 0.00 phenomenological time dependence: Avrami equation f c (θ)=f [1-exp{-(Kθ) n }] n: growth dimensionality +1 for cont. nucleation +?for in-filling processes log crystalline fraction f f c E-3 1E crystallization time θ / s A(θ) 20µs slope = 3 crystalline fraction immobilized fraction crystallization time θ / s f c f ra equal trends for crystalline and immobilized fractions no indication for a multi-stage process A. Maus. C. Hertlein, KS, Macromol. Chem. Phys. 207 (2006), 1150
18 Domain sizes in phase-separated polymers domain sizes: measure spin diffusion dipolar filter sequence rd selection spin diffusion τ diff MSE I mobile = f(τ diff ) phase-separated system with mobility contrast intensity / a.u τ diff -dependent FIDs: compensate for fast T 1 relaxation at 20 MHz onlypossiblewith full MSE refocussing! ms time / ms spin diffusion time 0.5 ms 9.2 ms 23.0 ms 39.7 ms 68.7 ms ms
19 Spin diffusion in lamellar copolymer systems selected soft (PB) fraction intensity [a.u.] 1,0 0,8 0,6 0,4 0, , sqrt(t) [sqrt(ms)] d (2/ π)[d soft = eff t s,0 m ] ½ ~ 14.3 nm (t s,0 m ) ½ soft fraction in blend 14.3 nm TEM SBS/PS 40/60 Blend correlation with macroscopic properties (e.g. clarity ) HOPS project w/ Y. Thomann, R. Mülhaupt, BASF
20 NMR in networks: chain order parameter b(t) n S(n)
21 Segmental dynamics in networks reference direction time-dependent orientation correlation function C α (t) = <f(α)> t,n,n α(t) log C α ~1% fast segmental motions (ns µs) slow, cooperative processes (ms s) (?) log time n network chains, N segments each residual average orientation ~ backbone order parameter S b (local!) dependent on N -1 (~ crosslink density) changes with mechanical deformation!
22 The order parameter descriptor of uniaxial orientational order: S = P 2 (cos α) α α S = 1 S 0.7 S 0 S = 0.5 (NMR: average... is over time!)
23 Dynamic averaging of NMR interactions dipolar coupling tensor D γ i γ j /r ij 3 B 0 τ c (T) D stat = D zz 30 khz! ± D(β) static spectrum D xx β D yy D zz intermediate τ c 1/D zz D res S b fast-limit spectrum
24 Why multiple-quantum spectroscopy? D res ~ S b real system vs. ~ 1/T 2 * T 2* subject to non-dipolar effects multi-spin couplings slowdynamics order distributions ppm ppm more specific experiment! static dipolar doublequantum spectroscopy τ DQ τ DQ DQ excitation DQ reconversion
25 ideal real Transverse relaxation vs. MQ spectroscopy dipolar time evolution Φ = (2/3) Φ D res P 2 (cos β) τ spectra rd τ FT τ I = f(τ) FID/Hahn echo I dip = <cos Φ > structure structure + dynamics rd 0.5 DQ excitation τ DQ DQ MQ experiment I ΣMQ = <sin 2 Φ> + <cos 2 Φ> I ΣMQ DQ = <sin 2 Φ> DQ ΣMQ: dynamics only! DQ reconversion τ DQ 0.5 I = f(τ DQ) ndq = DQ/ΣMQ: structure only! freq. time τ mobile impurities (sol )
26 Magnitude and time dependence of S b S b D res n n C(t) = (1-S b2 ) P 2 (cos α(0)) P 2 (cos α(t)) +S b 2 n ~ MHz-scale pre-averaging; quasi-static order: cross-link density, S 1/N chain stretching/swelling distributions! n n β(t) ~ khz-scale slow motions; loss of correlation: cross-link mobility (?) or reptation of linear chains C(t) = S b 2 P 2 (cos β(0)) P 2 (cos β(t)) intermediate dynamics!
27 DQ data analysis order paramters monomodal PDMS network (47k), unswollen K simulated spin system: DQ intensity K 340K CH 3 semi-analytical fitting function monomer unit excitation time τ DQ / ms Si α α C C D res = 130 Hz S 3% KS, J.-U. Sommer, et al., J. Chem. Phys. 119 (2003), 3468
28 Model case for a heterogeneous microstructure bimodal end-linked PDMS networks 0.6 linear superpositions of experimental data for net0 and net100 DQ intensity best-fit (monomodal) excitation time τ DQ % short chains: net0 (monomodal) net10 net20 net30 net50 net70 net90 net100 / ms 3.5 PDMS precursors: long chains: 47k short chains: 0.8k KS, J.-U. Sommer, et al., J. Chem. Phys. 119 (2003), 3468
29 Fitting of chain order distributions/heterogeneities integral inversion by Tikhonov regularization (Weese and Honerkamp, 1992) relative amplitude % 90% % 50% % % 10% 0 0% D res / Hz KS, J.-U. Sommer, et al., J. Chem. Phys. 119 (2003), 3468 KS, J. Am. Chem. Soc. 125 (2003), 14684
30 Chain order distributions in natural rubber rel. amplitude NR-A1 NR-A2 NR-A4 NR-A10 gamma distribution = expected result for Gaussian statistics <r 2 >= n l 2 0 r l D res /2π / khz no indication for an influence of Gaussian chain statistics! network chain polydispersity (exponential distribution) does not appear either! cooperativity/packing reduces/homogenizes conformational space direct implications for chain entropy!! KS, B. Herrero, M. A. López-Manchado, Macromolecules 38 (2005)
31 Quantitative modelling: NMR vs. swelling crosslink density x c ~ 1/M c ~ 1/N ~ S b ~ D res 1/M c (NMR) / mol/kg 1/M c + 1/M e NR-A NR-B 1/M e, NR slope = 2.05±0.06 slope = /M c (swelling) / mol/kg natural rubber: NMR overestimates order twice rescaling yields consistent results (M te = 10 kg/mol) semi-quantitative elastomer characterization! problems at the detail level validity of the Kuhn length model? of single-chain concepts in general? 1/M c + 1/M te KS, B. Herrero, M. A. López-Manchado, Macromolecules 38 (2005)
32 Chain dynamics: the Andersen-Weiss model I Gaussian (2nd-moment) assumption DQ experiment: τ DQ Φ A τ DQ Φ B I DQ = < sin Φ A sin Φ B > I ΣMQ = < sin Φ A sin Φ B > + < cos Φ A cos Φ B > comparison: Hahn echo relaxometry: Φ A τ echo ΦB I Hahn = < cos (Φ A + Φ B )> Gaussian distribution of interaction frequencies (mainly from the powder distribution) approximation of the trigonometric functions, simplification of the ensemble average: I DQ = sinh{<φ A Φ B >} exp{ <Φ A2 >} I ΣMQ = exp{<φ A Φ B >} exp{ <Φ A2 >} I Hahn = exp{ ½<(Φ A + Φ B )>} Φ = (2/3) Φ = τ D res P 2 (cos β t ) dt D res P 2 (cos β) τ KS, J. Chem. Phys. 120 (2004) 454 KS, A. Heuer, Macromolecules 39 (2006)
33 Experimental test of the Andersen-Weiss model calculate theoretical 1 H Hahn echo decay from experimental MQ data (natural rubber, 3 phr sulfur, 20 MHz spectrometer) rel. intensity experimental Hahn echo theoretical Hahn echo 12 C 38 C 130 C normalized DQ build-up evolution time / ms KS, A. Heuer, Macromolecules 39 (2006)
34 Chain dynamics: the Andersen-Weiss model II e.g. I DQ = sinh{<φ A Φ B >} exp{ <Φ A2 >} with Φ A,B = τ D res P 2 (cos α t ) dt requires integration of C(t) = P 2 (cos α 0 )P 2 (cos α t ) log C α S b 2 fast segmental motions (ns µs) slow, cooperative processes (ms s) old model: neglect fast processes C(t) = S b2 P 2 (cos β 0 )P 2 (cos β t ) = S b2 exp{ τ DQ /τ s } log time
35 Slow dynamics: temperature dependence vulcanized natural rubber, 3 phr sulfur normalized DQ build-up I ndq = I DQ /I ΣMQ I ΣMQ : exp. sum intensity decay I DQ : exp. DQ build-up successful normalization procedure! norm. intensity norm. intensity K 340K 403K ΣMQ DQ DQ evolution time / ms DQ evolution time / ms KS, A. Heuer, Macromolecules 39 (2006)
36 Slow-motion model 1 order parameter S b 0.1 ndq DQ ΣMQ T 0.01 g = 213 K temperature / K expected plateau for D res from DQ-buildup unphysical result from sum intensity decay correlation time τ c / ms e-3 τ slow (DQ) τ slow (ΣMQ) T g = 213 K temperature / K complete disagreement between the different τ c unphysical temperature dependence (not activated?) KS, A. Heuer, Macromolecules 39 (2006)
37 Fast and slow dynamics ΣMQ DQ ndq log C α S b 2 fast segmental motions (ns µs) slow, cooperative processes (ms s) old model: neglect fast processes new model: consider fast processes! importance of slow processes? log time
38 Better models K SMQ DQ exponential correlation function C(t) = (1-S b2 ) exp{-t/τ fast } + S b 2 exp. cf. τ fast norm. intensity exp. cf. τ fast,τ slow power-law cf. exponential correlation function with slow decay C(t) = (1-S b2 ) exp{-t/τ fast } + S b2 exp{-t/τ slow } DQ evolution time / ms power-law correlation function C(t) = (1-S b2 ) (τ 0 /t) κ + S b 2 for t > τ 0 validity/fitting limit! KS, A. Heuer, Macromolecules 39 (2006)
39 Better models correlation time τ c / ms power-law onset τ 0 / ms e-3 1e e-3 1e-4 1e-5 1e-6 WLF fit T g = 213 K temperature / K exponential correlation function C(t) = (1-S b2 ) exp{-t/τ fast } + S b 2 1e e-8 T g = 213 K temperature / K τ slow (DQ) τ slow (ΣMQ) τ fast (sim. fit) power-law exponent κ no evidence for a slow process! KS, A. Heuer, Macromolecules 39 (2006)
40 Comparison with melt dynamics natural rubber, 3 phr sulfur (A3) vs. unvulcanized (lin) 1.0 NR-A3 NR-lin ndq norm. intensity ΣMQ DQ 285K ΣMQ DQ 403K NR-A3 NR-lin K DQ evolution time / ms DQ evolution time / ms DQ evolution time / ms no observable "plateau" value for S b influence of reptation dynamics! (isotropization on a timescale τ d ) KS, A. Heuer, Macromolecules 39 (2006)
41 Comparison of permanent networks and melts lin. poly(butadiene), 50% cis, 45% trans Graf, Heuer, Spiess, PRL 80 (1998) 5738 order parameter S b ~ entanglement level S b,e T - T g / K NR-A3 NR-A04 NR-lin unobservable due to reptation! segmental averaging at T = T g + 50K probes a length scale << a "local packing" (Doi-Edwards: a ~ entanglement length, associated with τ e ) slow segmental averaging, important when conformational space is large! no proper timescale separation (τ e, τ R, τ d )?
42 Study of gelation increasing crosslink density ω melt/solution percolation threshold elastomer rheology: F(ω) G(ω) η(ω)
43 Rheological determination of the gel point Winter/Chambon: gel point = loss tangent [ tan δ(ω) = ω η(ω)/g(ω) ] becomes independent of frequency tan δ gel point r = rad/s 31.5 rad/s 19.9 rad/s 12.6 rad/s 7.9 rad/s 5.0 rad/s 3.15 rad/s 2.00 rad/s 1.26 rad/s 0.79 rad/s 0.50 rad/s bulk crosslinking of PDMS, varying stoichiometric ratio r time consuming! r
44 norm. intensity Gel point by low-field MQ NMR single-point detection of residual couplings comparisonwithrheology (Winter/Chambon) quantitative analysis: sol fraction, network properties bimodal structure at low conversion ΣMQ sol ndq DQ evolution time / ms r = 0.36 r = 0.41 r = 0.47 r = r = 0.56 r = 0.62 r = 0.67 ndq 5 ms sol fraction statistical linking (vulcanization) E-3 PDMS 441 PDMS 424 noise 1E r PDMS 441 PDMS r end-linking KS, M. Gottlieb, R. Liu, W. Oppermann, Macromolecules 40 (2007)
45 gel points Gelation kinetics by low-field MQ NMR ndq 4 ms gel point time / s gelation time / s DLS NMR c = 0.05 g/ml c = 0.04 g/ml c = 0.03 g/ml c = 0.02 g/ml τ NMR polymer concentration / g/ml gelation time constant / s dilute solutions of P(S-co-AMS) in toluene-d 8 real-time measurement of DQ intensities comparisonwithdls quantitative NMR analysis: 13-50% network chains 56-43% dangl. chains, loops, microgels 31-7% mobile sol KS, M. Gottlieb, R. Liu, W. Oppermann, Macromolecules 40 (2007)
46 Conclusions low field but high-end science easy set-up: insert sample, adjust gain, offset and 90 pulse, start polymer crystallinity, morphology, crystallization kinetics domain structures in block-copolymers in-depth elastomer characterization, new polymer physics detailed insights into gelation
47 Thanks very much... Andreas Maus Christopher Hertlein, G. Strobl (U Freiburg) Yi Thomann, R. Mülhaupt (U Freiburg) Jens-Uwe Sommer (ICSI Mulhouse/IPF Dresden) A. Vidal, B. Haidar, P. Ziegler, O. Spyckerelle (ICSI) Berta Herrero, M.A. López-Manchado (ICPT-CSIC, Madrid) Moshe Gottlieb (U of the Negev, Beer Sheva) Ruigang Liu, W. Oppermann (TU Clausthal) Landesstiftung Baden-Württemberg, DFG (SFBs 428 & 418), Fonds der Chemischen Industrie
Artifacts in Transverse Proton NMR Relaxation Studies of Elastomers. M(t) ) A exp{-t/t. B exp{-t/t 2B } + C exp{-t/t 2C } (1) qm 2 ) 9 (2)
1508 Macromolecules 2005, 38, 1508-1512 Artifacts in Transverse Proton NMR Relaxation Studies of Elastomers Kay Saalwa1 chter Institut für Makromolekulare Chemie, Universität Freiburg, Stefan-Meier-Str.
More informationNMR Studies of Polyethylene: Towards the Organization of Semi Crystalline Polymers
NMR Studies of Polyethylene: Towards the Organization of Semi Crystalline Polymers Yefeng Yao, Robert Graf, Hans Wolfgang Spiess Max-Planck-Institute for Polymer Research, Mainz, Germany Leibniz Institut
More informationStructure, dynamics and heterogeneity: solid-state NMR of polymers. Jeremy Titman, School of Chemistry, University of Nottingham
Structure, dynamics and heterogeneity: solid-state NMR of polymers Jeremy Titman, School of Chemistry, University of Nottingham Structure, dynamics and heterogeneity Structure Dynamics conformation, tacticity,
More information3 Proton NMR on Cross-linked Polymers
3 Proton NMR on Cross-linked Polymers The type of molecular motion of a polymer sample is encoded in the shape of the transversal relaxation (T ) curve. T is therefore sensitive to the physical environment
More informationStructure of Poly(vinyl alcohol) Cryo-Hydrogels as Studied by Proton Low-Field NMR Spectroscopy
Macromolecules 2009, 42, 263-272 263 Structure of Poly(vinyl alcohol) Cryo-Hydrogels as Studied by Proton Low-Field NMR Spectroscopy J. L. Valentín,*,, D. López, R. Hernández, C. Mijangos, and K. Saalwächter
More informationChain Mobility in Crosslinked EPDM Rubbers. Comparison of 1 H NMR T 2 Relaxometry and Double-Quantum 1 H NMR
Chapter 13 Chain Mobility in Crosslinked EPDM Rubbers. Comparison of 1 H NMR T 2 Relaxometry and Double-Quantum 1 H NMR Downloaded by Pieter Magusin on October 24, 2011 http://pubs.acs.org Pieter C. M.
More informationPolymer Dynamics in PEG-Silica Nanocomposites: Effects of Polymer Molecular Weight, Temperature and Solvent Dilution
pubs.acs.org/macromolecules Polymer Dynamics in PEG-Silica Nanocomposites: Effects of Polymer Molecular Weight, Temperature and Solvent Dilution So Youn Kim,, Henriette W. Meyer, Kay Saalwa chter,*, and
More informationMultiple-quantum NMR studies of polymer chain dynamics
Multiple-quantum NMR studies of polymer chain dynamics Kay Saalwächter 1, 1 Institut für Physik NMR, Martin-Luther-Universität Halle-Wittenberg, D-612 Halle, Germany (Dated: September 1, 216) Multiple-quantum
More informationChain Order and Cross-Link Density of Elastomers As Investigated by Proton Multiple-Quantum NMR
9650 Macromolecules 2005, 38, 9650-9660 Chain Order and Cross-Link Density of Elastomers As Investigated by Proton Multiple-Quantum NMR Kay Saalwa1 chter* Institut für Makromolekulare Chemie, Universität
More information4 Spin-echo, Spin-echo Double Resonance (SEDOR) and Rotational-echo Double Resonance (REDOR) applied on polymer blends
4 Spin-echo, Spin-echo ouble Resonance (SEOR and Rotational-echo ouble Resonance (REOR applied on polymer blends The next logical step after analyzing and concluding upon the results of proton transversal
More informationPhysikalische Chemie IV (Magnetische Resonanz) HS Solution Set 2. Hand out: Hand in:
Solution Set Hand out:.. Hand in:.. Repetition. The magnetization moves adiabatically during the application of an r.f. pulse if it is always aligned along the effective field axis. This behaviour is observed
More informationSwelling Heterogeneities in End-Linked Model Networks: A Combined Proton Multiple-Quantum NMR and Computer Simulation Study
8556 Macromolecules 2004, 37, 8556-8568 Swelling Heterogeneities in End-Linked Model Networks: A Combined Proton Multiple-Quantum NMR and Computer Simulation Study Kay Saalwa1 chter* and Felix Kleinschmidt
More informationGeneral NMR basics. Solid State NMR workshop 2011: An introduction to Solid State NMR spectroscopy. # nuclei
: An introduction to Solid State NMR spectroscopy Dr. Susanne Causemann (Solid State NMR specialist/ researcher) Interaction between nuclear spins and applied magnetic fields B 0 application of a static
More informationAuthor's personal copy
Solid State Nuclear Magnetic Resonance 34 (2008) 125 141 Contents lists available at ScienceDirect Solid State Nuclear Magnetic Resonance journal homepage: www.elsevier.com/locate/ssnmr Spin-diffusion
More informationIn situ Experiments in Material Science:
In situ Experiments in Material Science: Rheo-Saxs, Rheo-Dielectric, Rheo-NMR, In situ-nmr Prof. Dr. M. Wilhelm Institute of Chemical and Polymer Chemistry Manfred.Wilhelm@kit.edu Fourier Transform-Rheology
More informationVIII. Rubber Elasticity [B.Erman, J.E.Mark, Structure and properties of rubberlike networks]
VIII. Rubber Elasticity [B.Erman, J.E.Mark, Structure and properties of rubberlike networks] Using various chemistry, one can chemically crosslink polymer chains. With sufficient cross-linking, the polymer
More informationPolymer dynamics. Course M6 Lecture 5 26/1/2004 (JAE) 5.1 Introduction. Diffusion of polymers in melts and dilute solution.
Course M6 Lecture 5 6//004 Polymer dynamics Diffusion of polymers in melts and dilute solution Dr James Elliott 5. Introduction So far, we have considered the static configurations and morphologies of
More informationQuantification of Dynamics in the Solid-State
Bernd Reif Quantification of Dynamics in the Solid-State Technische Universität München Helmholtz-Zentrum München Biomolecular Solid-State NMR Winter School Stowe, VT January 0-5, 206 Motivation. Solid
More informationQENS in the Energy Domain: Backscattering and Time-of
QENS in the Energy Domain: Backscattering and Time-of of-flight Alexei Sokolov Department of Polymer Science, The University of Akron Outline Soft Matter and Neutron Spectroscopy Using elastic scattering
More informationEntanglements. M < M e. M > M e. Rouse. Zero-shear viscosity vs. M (note change of slope) Edwards degennes Doi. Berry + Fox, slope 3.4.
Entanglements Zero-shear viscosity vs. M (note change of slope) M < M e Rouse slope 3.4 M > M e Edwards degennes Doi slope 1 Berry + Fox, 1968 Question: Which factors affect the Me: T, P, M, flexibility,
More informationProtein dynamics from NMR Relaxation data
Protein dynamics from NMR Relaxation data Clubb 3/15/17 (S f2 ) ( e ) Nitrogen-15 relaxation ZZ-exchange R 1 = 1/T 1 Longitudinal relaxation (decay back to z-axis) R 2 = 1/T 2 Spin-spin relaxation (dephasing
More informationSupporting Information for. Dynamics of Architecturally Engineered All- Polymer Nanocomposites
Supporting Information for Dynamics of Architecturally Engineered All- Polymer Nanocomposites Erkan Senses,,,,* Madhusudan Tyagi,, Madeleine Pasco, Antonio Faraone,* NIST Center for Neutron Research, National
More informationTrans-States-Repulsion Scenario of polymer crystallization
Trans-States-Repulsion Scenario of polymer crystallization S. Stepanow University of Halle, Dept. Phys., D-06099 Halle, Germany 1. What is polymer crystallization? 1.1 Nucleation theories 2. The trans-states-repulsion
More informationAuthor's personal copy
Journal of Magnetic Resonance 212 (2011) 204 215 Contents lists available at ScienceDirect Journal of Magnetic Resonance journal homepage: www.elsevier.com/locate/jmr BaBa-xy16: Robust and broadband homonuclear
More informationNMR: Formalism & Techniques
NMR: Formalism & Techniques Vesna Mitrović, Brown University Boulder Summer School, 2008 Why NMR? - Local microscopic & bulk probe - Can be performed on relatively small samples (~1 mg +) & no contacts
More informationENAS 606 : Polymer Physics
ENAS 606 : Polymer Physics Professor Description Course Topics TA Prerequisite Class Office Hours Chinedum Osuji 302 Mason Lab, 432-4357, chinedum.osuji@yale.edu This course covers the static and dynamic
More informationPolymer Dynamics. Tom McLeish. (see Adv. Phys., 51, , (2002)) Durham University, UK
Polymer Dynamics Tom McLeish Durham University, UK (see Adv. Phys., 51, 1379-1527, (2002)) Boulder Summer School 2012: Polymers in Soft and Biological Matter Schedule Coarse-grained polymer physics Experimental
More informationPROTEIN NMR SPECTROSCOPY
List of Figures List of Tables xvii xxvi 1. NMR SPECTROSCOPY 1 1.1 Introduction to NMR Spectroscopy 2 1.2 One Dimensional NMR Spectroscopy 3 1.2.1 Classical Description of NMR Spectroscopy 3 1.2.2 Nuclear
More informationDependence of Order and Dynamics in Polymers and Elastomers under Deformation Revealed by NMR Techniques
Vol. 108 (2005) ACTA PHYSICA POLONICA A No. 2 Proceedings of the XXI International Meeting on Radio and Microwave Spectroscopy RAMIS 2005, Poznań-Bȩdlewo, Poland, April 24 28, 2005 Dependence of Order
More informationTable 1 Types of solvents with spherical and linear molecules absorbed in EPDM and the mass uptake Q w. EPDM rubber with various solvents (60 phr)
normalized distributions normalized distributions Scientific report related to the implementation of project: Structure-dynamics-properties relationships and aging effects in nanocomposite elastomers and
More informationInvestigation of Structure and Dynamics in Polymeric Systems via Solid State NMR
Investigation of Structure and Dynamics in Polymeric Systems via Solid State NMR Robert Graf Max-Planck-Institut für Polymerforschung Mainz March 2 nd, 2005 Max Planck Institute for Polymer Research founded
More informationAn Introduction to Polymer Physics
An Introduction to Polymer Physics David I. Bower Formerly at the University of Leeds (CAMBRIDGE UNIVERSITY PRESS Preface Acknowledgements xii xv 1 Introduction 1 1.1 Polymers and the scope of the book
More informationLOW-FIELD NMR STUDIES OF STRUCTURE AND DYNAMICS IN SEMICRYSTALLINE POLYMERS
LOW-FIELD NMR STUDIES OF STRUCTURE AND DYNAMICS IN SEMICRYSTALLINE POLYMERS Dissertation zur Erlangung des Doktorgrades der Naturwissenschaften (Dr. rer. nat.) vorgelegt dem Institut für Physik der Naturwissenschaftlichen
More informationThe Positive Muon as a Probe in Chemistry. Dr. Iain McKenzie ISIS Neutron and Muon Source STFC Rutherford Appleton Laboratory
The Positive Muon as a Probe in Chemistry Dr. Iain McKenzie ISIS Neutron and Muon Source STFC Rutherford Appleton Laboratory I.McKenzie@rl.ac.uk µsr and Chemistry Properties of atoms or molecules containing
More informationChapter 7. Entanglements
Chapter 7. Entanglements The upturn in zero shear rate viscosity versus molecular weight that is prominent on a log-log plot is attributed to the onset of entanglements between chains since it usually
More informationCHAPTER 8. MOLAR MASS DEPENDENT GROWTH OF POLY(ε- CAPROLACTONE) CRYSTALS IN LANGMUIR FILMS
CHAPTER 8 MOLAR MASS DEPENDENT GROWTH OF POLY(ε- CAPROLACTONE) CRYSTALS IN LANGMUIR FILMS Reproduced with permission from: Li, B.; Esker, A. R. Molar Mass Dependent Growth of Poly(ε-caprolactone) Crystals
More informationPolymer Dynamics and Rheology
Polymer Dynamics and Rheology 1 Polymer Dynamics and Rheology Brownian motion Harmonic Oscillator Damped harmonic oscillator Elastic dumbbell model Boltzmann superposition principle Rubber elasticity and
More informationUncertainties in the Determination of Cross-Link Density by Equilibrium Swelling Experiments in Natural Rubber
Macromolecules 2008, 41, 4717-4729 4717 Uncertainties in the Determination of Cross-Link Density by Equilibrium Swelling Experiments in Natural Rubber J. L. Valentín,*,, J. Carretero-González, I. Mora-Barrantes,
More informationMulti-scale studies of elastomer materials (in a tire tread) TERATEC 2013 Materials Science Session B. Schnell
Multi-scale studies of elastomer materials (in a tire tread) TERATEC 13 Materials Science Session B. Schnell TERATEC - 6/6/13 Page : 1 / 7 Tire description A tire : a highly functional structure composed
More informationSupporting Information for
Supporting Information for Tetragonal Li 10 GeP 2 S 12 and Li 7 GePS 8 exploring the Li ion dynamics in LGPS Li electrolytes Alexander Kuhn, a Viola Duppel a and Bettina V. Lotsch* a,b a Max Planck Institute
More informationClassical Description of NMR Parameters: The Bloch Equations
Classical Description of NMR Parameters: The Bloch Equations Pascale Legault Département de Biochimie Université de Montréal 1 Outline 1) Classical Behavior of Magnetic Nuclei: The Bloch Equation 2) Precession
More informationLecture 5: Macromolecules, polymers and DNA
1, polymers and DNA Introduction In this lecture, we focus on a subfield of soft matter: macromolecules and more particularly on polymers. As for the previous chapter about surfactants and electro kinetics,
More information1 General Introduction
1 General Introduction The topic of this thesis is the characterization of elastic phase in polymer blends by means of Solid-State Nuclear Magnetic Resonance Spectroscopy. In this chapter, after motivating
More informationIntroduction to Relaxation Theory James Keeler
EUROMAR Zürich, 24 Introduction to Relaxation Theory James Keeler University of Cambridge Department of Chemistry What is relaxation? Why might it be interesting? relaxation is the process which drives
More informationChap. 2. Polymers Introduction. - Polymers: synthetic materials <--> natural materials
Chap. 2. Polymers 2.1. Introduction - Polymers: synthetic materials natural materials no gas phase, not simple liquid (much more viscous), not perfectly crystalline, etc 2.3. Polymer Chain Conformation
More informationEffect of crystallinity on properties. Melting temperature. Melting temperature. Melting temperature. Why?
Effect of crystallinity on properties The morphology of most polymers is semi-crystalline. That is, they form mixtures of small crystals and amorphous material and melt over a range of temperature instead
More informationAn introduction to Solid State NMR and its Interactions
An introduction to Solid State NMR and its Interactions From tensor to NMR spectra CECAM Tutorial September 9 Calculation of Solid-State NMR Parameters Using the GIPAW Method Thibault Charpentier - CEA
More informationAdvanced Quadrupolar NMR. Sharon Ashbrook School of Chemistry, University of St Andrews
Advanced Quadrupolar NMR Sharon Ashbrook School of Chemistry, University of St Andrews Quadrupolar nuclei: revision single crystal powder ST 500 khz ST ω 0 MAS 1 khz 5 khz second-order broadening Example:
More informationTimescales of Protein Dynamics
Timescales of Protein Dynamics From Henzler-Wildman and Kern, Nature 2007 Summary of 1D Experiment time domain data Fourier Transform (FT) frequency domain data or Transverse Relaxation Ensemble of Nuclear
More informationLiquid Crystal. Liquid Crystal. Liquid Crystal Polymers. Liquid Crystal. Orientation of molecules in the mesophase
Liquid Crystal - Liquid crystals (LCs) are a state of matter that have properties between those of a conventional liquid and those of a solid crystal. (Fourth state of matter) Liquid Crystal Orientation
More informationMeasuring Spin-Lattice Relaxation Time
WJP, PHY381 (2009) Wabash Journal of Physics v4.0, p.1 Measuring Spin-Lattice Relaxation Time L.W. Lupinski, R. Paudel, and M.J. Madsen Department of Physics, Wabash College, Crawfordsville, IN 47933 (Dated:
More informationTimescales of Protein Dynamics
Timescales of Protein Dynamics From Henzler-Wildman and Kern, Nature 2007 Dynamics from NMR Show spies Amide Nitrogen Spies Report On Conformational Dynamics Amide Hydrogen Transverse Relaxation Ensemble
More informationNotes. Prediction of the Linear Viscoelastic Shear Modulus of an Entangled Polybutadiene Melt from Simulation and Theory (1) 3π 2 k B T D(T)N (2)
134 Macromolecules 2001, 34, 134-139 Notes Prediction of the Linear Viscoelastic Shear Modulus of an Entangled Polybutadiene Melt from Simulation and Theory Oleksiy Byutner and Grant D. Smith* Department
More informationMechanical Properties of Polymers. Scope. MSE 383, Unit 3-1. Joshua U. Otaigbe Iowa State University Materials Science & Engineering Dept.
Mechanical Properties of Polymers Scope MSE 383, Unit 3-1 Joshua U. Otaigbe Iowa State University Materials Science & Engineering Dept. Structure - mechanical properties relations Time-dependent mechanical
More informationCHARACTERIZATION OF INTERACTION BETWEEN OIL/BRINE/ROCK UNDER DIFFERENT ION CONDITIONS BY LOW FIELD SOLID-STATE NMR
SCA2016-077 1/6 CHARACTERIZATION OF INTERACTION BETWEEN OIL/BRINE/ROCK UNDER DIFFERENT ION CONDITIONS BY LOW FIELD SOLID-STATE NMR Shijing XU 1, Xiaoliang WANG 2, Weifeng LV 1, Qingjie LIU 1, Jiazhong
More informationFilled elastomer mechanics and polymer dynamics modification near surfaces
Collaboration D. Long, PSotta (LPMA/ Lyon France) K. Saalwaechter (Halle) J. Oberdisse ( Montpellier France) S. Cantournet ( Ecole des Mines) A. Dequidt (I Chimie, Clermont ferrand ) Filled elastomer mechanics
More informationRelaxation. Ravinder Reddy
Relaxation Ravinder Reddy Relaxation What is nuclear spin relaxation? What causes it? Effect on spectral line width Field dependence Mechanisms Thermal equilibrium ~10-6 spins leads to NMR signal! T1 Spin-lattice
More informationOptimizing Phases of CPMG Pulse Sequence and Applying Exact Solution to Measure Relaxation Time
Optimizing Phases of CPMG Pulse Sequence and Applying Exact Solution to Measure Relaxation Time Alex Bain 1, Christopher Anand 2, Zhenghua Nie 3 1 Department of Chemistry & Chemical Biology 2 Department
More informationTOPIC 7. Polymeric materials
Universidad Carlos III de Madrid www.uc3m.es MATERIALS SCIENCE AND ENGINEERING TOPIC 7. Polymeric materials 1. Introduction Definition General characteristics Historic introduction Polymers: Examples 2.
More informationSpin Track TD-NMR Spectrometer. Applications and Instrumentation Review
Spin Track TD-NMR Spectrometer Applications and Instrumentation Review "Spin Track" Time-Domain (TD) NMR spectrometer is a high quality time-domain NMR instrument with wide range of applications, advanced
More informationPhysical Chemistry of Polymers (4)
Physical Chemistry of Polymers (4) Dr. Z. Maghsoud CONCENTRATED SOLUTIONS, PHASE SEPARATION BEHAVIOR, AND DIFFUSION A wide range of modern research as well as a variety of engineering applications exist
More informationSupplementary Figures:
Supplementary Figures: dcdtbt vibration spectrum: Ground state blue vs Cation state red Intensity a.u. 1000 1100 1200 1300 1400 1500 1600 1700 Frequency cm^1 dcdtbt vibration spectrum: Ground state blue
More informationALGORITHM OF ANALYSE OF SPIN-SPIN RELAXATION IN POLYBUTADIENE-C 6 H 12 AND POLYBUTADIENE-C 6 D 12 SOLUTIONS
ALGORITHM OF ANALYSE OF SPIN-SPIN RELAXATION IN POLYBUTADIENE-C 6 H 12 AND POLYBUTADIENE-C 6 D 12 SOLUTIONS M. Todica Babes-Bolyai University, Faculty of Physics, 3400 Cluj-Napoca. Abstract The comparative
More informationNMR Spectroscopy of Polymers
r NMR Spectroscopy of Polymers Edited by ROGER N. IBBETT Courtaulds Research and Technology Coventry BLACKIE ACADEMIC & PROFESSIONAL An Imprint of Chapman & Hall London Glasgow New York Tokyo Melbourne
More informationClassical Description of NMR Parameters: The Bloch Equations
Classical Description of NMR Parameters: The Bloch Equations Pascale Legault Département de Biochimie Université de Montréal 1 Outline 1) Classical Behavior of Magnetic Nuclei: The Bloch Equation 2) Precession
More informationInvestigation of Molecular Structure of the Cortex of Wool Fibers
Investigation of Molecular Structure of the Cortex of Wool Fibers (Seed Project) Principal investigator: Mark Liff, Philadelphia University Participants: Ronald McNamara, University of Pennsylvania Michael
More informationChapter 7. Nuclear Magnetic Resonance Spectroscopy
Chapter 7 Nuclear Magnetic Resonance Spectroscopy I. Introduction 1924, W. Pauli proposed that certain atomic nuclei have spin and magnetic moment and exposure to magnetic field would lead to energy level
More informationNMR course at the FMP: NMR of organic compounds and small biomolecules - II -
NMR course at the FMP: NMR of organic compounds and small biomolecules - II - 16.03.2009 The program 2/76 CW vs. FT NMR What is a pulse? Vectormodel Water-flip-back 3/76 CW vs. FT CW vs. FT 4/76 Two methods
More informationPrinciples of Nuclear Magnetic Resonance Microscopy
Principles of Nuclear Magnetic Resonance Microscopy Paul T. Callaghan Department of Physics and Biophysics Massey University New Zealand CLARENDON PRESS OXFORD CONTENTS 1 PRINCIPLES OF IMAGING 1 1.1 Introduction
More informationBiophysical Chemistry: NMR Spectroscopy
Spin Dynamics & Vrije Universiteit Brussel 25th November 2011 Outline 1 Pulse/Fourier Transform NMR Thermal Equilibrium Effect of RF Pulses The Fourier Transform 2 Symmetric Exchange Between Two Sites
More informationProtein Dynamics Relaxation techniques
Protein Dynamics Relaxation techniques Daniel Mathieu Bruker Users Meeting 2016, Karlsruhe Innovation with Integrity Proteins aren t exactly rock solid 10.11.2016 Users meeting 2016 2 Characterizing Dynamic
More informationGlass Transition as the Rheological Inverse of Gelation
NNF Summer reading group, July 18 th 2017 Glass Transition as the Rheological Inverse of Gelation ACS Macromolecules 46, 2425-2432 (2013) H Henning Winter Department of Chemical Engineering and Department
More information2.1 Traditional and modern applications of polymers. Soft and light materials good heat and electrical insulators
. Polymers.1. Traditional and modern applications.. From chemistry to statistical description.3. Polymer solutions and polymer blends.4. Amorphous polymers.5. The glass transition.6. Crystalline polymers.7.
More informationGuideline for Rheological Measurements
Guideline for Rheological Measurements Typical Measurements, Diagrams and Analyses in Rheology www.anton-paar.com General Information: = Measurement = Diagram = Analysis Important Rheological Variables:
More informationNUCLEAR MAGNETIC RESONANCE. Introduction. Vol. 10 NUCLEAR MAGNETIC RESONANCE 637
Vol. 10 NUCLEAR MAGNETIC RESONANCE 637 NUCLEAR MAGNETIC RESONANCE Introduction An important objective in materials science is the establishment of relationships between the microscopic structure or molecular
More informationLong-lived spin echoes in magnetically diluted system: an NMR study of the Ge single crystals Alexander M. Panich,
Long-lived spin echoes in magnetically diluted system: an NMR study of the Ge single crystals Alexander M. Panich, Department of Physics, Ben-Gurion University of the Negev, Beer Sheva, Israel N. A. Sergeev,
More informationIon Transport in Dynamic Polymer Networks based on Metal-Ligand Coordination: Effect of Crosslinker Concentration Supporting Information
Ion Transport in Dynamic Polymer Networks based on Metal-Ligand Coordination: Effect of Crosslinker Concentration Supporting Information Gabriel E. Sanoja, 1, 2, Nicole S. Schauser, 3, Joshua M. Bartels,
More informationJoint Project between Japan and Korea M. Jeong, M. Song, S. Lee (KAIST, Korea) +KBSI T. Ueno, M. Matsubara (Kyoto University, Japan)+Fukui Univ.
Joint Project between Japan and Korea M. Jeong, M. Song, S. Lee (KAIST, Korea) +KBSI T. Ueno, M. Matsubara (Kyoto University, Japan)+Fukui Univ. +Vasiliev(Turku) 31 P NMR at low temperatures ( down to
More informationSupporting Information. Controlled Structure Evolution of Graphene Networks in Polymer Composites
Supporting Information Controlled Structure Evolution of Graphene Networks in Polymer Composites Stephen C. Boothroyd,,# David W. Johnson,,# Michael P. Weir, Carl D. Reynolds, James M. Hart, Andrew J.
More informationPolymers. Steep Slope = 3/5 : Self-Avoiding Walk (Polymer Solution) Shallow Slope = 1/2 : Gaussian Random Walk (Polymer Melt)
Polymers 1 Polymers Steep Slope = 3/5 : Self-Avoiding Walk (Polymer Solution) Shallow Slope = 1/2 : Gaussian Random Walk (Polymer Melt) 2 If we consider a series of chains = 0 Except when i = j, and
More informationPolymer Gels. Boulder Lectures in Soft Matter Physics July 2012 Yitzhak Rabin
Polymer Gels Boulder ectures in Soft Matter Physics July Yitzhak abin M. ubinstein and.h. Colby, Polymer Physics (Oxford, ), Chapters 6 and 7 P.-G. de Gennes, Scaling Concepts in Polymer Physics (Cornell,
More informationSuspended Long-Lived NMR Echo in Solids
Suspended Long-Lived NMR Echo in Solids A. Turanov 1 and A.K. Khitrin 2 1 Zavoisky Physical-Technical Institute RAS, Kazan, 420029, Russia 2 Department of Chemistry, Kent State University, OH 44242, USA
More informationPolymer Physics MSE 458 / CHEM 482 Spring 2018
Polymer Physics MSE 458 / CHEM 482 Spring 2018 Instructor: Prof. A.L. Ferguson 204 MSEB (217) 300-2354 alf@illinois.edu Grader: Class: Location: 4101 MSEB Time: 2:00 3:20 pm Days: T, Th Sections: A3 (CRN-38260)
More informationMagnetic Resonance in magnetic materials
Ferdinando Borsa, Dipartimento di Fisica, Universita di Pavia Magnetic Resonance in magnetic materials Information on static and dynamic magnetic properties from Nuclear Magnetic Resonance and Relaxation
More informationNew Developments in Rheology for Reactive Processing
New Developments in Rheology for Reactive Processing Philippe CASSAGNAU Laboratoire des Matériaux Polymères et Biomatériaux IMP: Ingénierie des Matériaux Polymères Université Claude Bernard Lyon 1 France
More informationSpectroscopy of Polymers
Spectroscopy of Polymers Jack L. Koenig Case Western Reserve University WOMACS Professional Reference Book American Chemical Society, Washington, DC 1992 Contents Preface m xiii Theory of Polymer Characterization
More informationMSE 383, Unit 3-3. Joshua U. Otaigbe Iowa State University Materials Science & Engineering Dept.
Dynamic Mechanical Behavior MSE 383, Unit 3-3 Joshua U. Otaigbe Iowa State University Materials Science & Engineering Dept. Scope Why DMA & TTS? DMA Dynamic Mechanical Behavior (DMA) Superposition Principles
More informationCONTENTS. 2 CLASSICAL DESCRIPTION 2.1 The resonance phenomenon 2.2 The vector picture for pulse EPR experiments 2.3 Relaxation and the Bloch equations
CONTENTS Preface Acknowledgements Symbols Abbreviations 1 INTRODUCTION 1.1 Scope of pulse EPR 1.2 A short history of pulse EPR 1.3 Examples of Applications 2 CLASSICAL DESCRIPTION 2.1 The resonance phenomenon
More informationThe Physical Basis of the NMR Experiment
The Physical Basis of the NMR Experiment 1 Interaction of Materials with Magnetic Fields F F S N S N Paramagnetism Diamagnetism 2 Microscopic View: Single Spins an electron has mass and charge in addition
More informationUses of Nuclear Magnetic Resonance (NMR) in Metal Hydrides and Deuterides. Mark S. Conradi
Uses of Nuclear Magnetic Resonance (NMR) in Metal Hydrides and Deuterides Mark S. Conradi Washington University Department of Physics St. Louis, MO 63130-4899 USA msc@physics.wustl.edu 1 Uses of Nuclear
More informationVISCOELASTIC PROPERTIES OF POLYMERS
VISCOELASTIC PROPERTIES OF POLYMERS John D. Ferry Professor of Chemistry University of Wisconsin THIRD EDITION JOHN WILEY & SONS New York Chichester Brisbane Toronto Singapore Contents 1. The Nature of
More informationCHEM / BCMB 4190/6190/8189. Introductory NMR. Lecture 10
CHEM / BCMB 490/690/889 Introductory NMR Lecture 0 - - CHEM 490/690 Spin-Echo The spin-echo pulse sequence: 90 - τ - 80 - τ(echo) Spins echoes are widely used as part of larger pulse sequence to refocus
More informationDynamics of Poly(vinyl butyral) studied by Dielectric Spectroscopy and
Electronic Supplementary Material (ESI) for Physical Chemistry Chemical Physics. This journal is the Owner Societies 2017 Dynamics of Poly(vinyl butyral) studied by Dielectric Spectroscopy and 1 H NMR
More informationAndrea Morello. Nuclear spin dynamics in quantum regime of a single-molecule. magnet. UBC Physics & Astronomy
Nuclear spin dynamics in quantum regime of a single-molecule magnet Andrea Morello UBC Physics & Astronomy Kamerlingh Onnes Laboratory Leiden University Nuclear spins in SMMs Intrinsic source of decoherence
More informationTopics in SSNMR and Dynamics of Proteins: Consequences of Intermediate Exchange
Topics in SSNMR and Dynamics of Proteins: Consequences of Intermediate Exchange A McDermott, Columbia University Winter School in Biomolecular NMR, Stowe VT January 20-23 2008 Effects on NMR Spectra: Local,
More informationBME I5000: Biomedical Imaging
BME I5000: Biomedical Imaging Lecture 9 Magnetic Resonance Imaging (imaging) Lucas C. Parra, parra@ccny.cuny.edu Blackboard: http://cityonline.ccny.cuny.edu/ 1 Schedule 1. Introduction, Spatial Resolution,
More informationH NMR Studies of Molecular Dynamics. Basis Seminar on June 25th by Cornelius Friedrichs
2 H NMR Studies of Molecular Dynamics Basis Seminar on June 25th by Cornelius Friedrichs Outline 1. IntroducDon to 2 H nuclei 2. MoDons 3. SimulaDon of 2 H spectra 4. Line shape analysis in 1D spectra
More informationBiophysical Chemistry: NMR Spectroscopy
Relaxation & Multidimensional Spectrocopy Vrije Universiteit Brussel 9th December 2011 Outline 1 Relaxation 2 Principles 3 Outline 1 Relaxation 2 Principles 3 Establishment of Thermal Equilibrium As previously
More informationMONTE CARLO DYNAMICS OF DIAMOND-LATTICE MULTICHAIN SYSTEMS
241 MONTE CARLO DYNAMICS OF DIAMOND-LATTICE MULTICHAIN SYSTEMS Andrzej Kolinski,* Jeffrey Skolnick t and Robert Yaris Department of Chemistry, Washington University, St. Louis, MO 63130 ABSTRACT We present
More informationMolecular Dynamics in geometrical confinement F. Kremer
Molecular Dynamics in geometrical confinement F. Kremer Coauthors: A. Huwe Universität Leipzig L. Hartmann Universität Leipzig A. Serghei Universität Leipzig A. Gräser Universität Chemnitz S. Spange Universität
More information