PFG-NMR measurement of self-diffusion coefficients of long-chain α-olefins and their mixtures in semi-crystalline polyethylene

2016 ◽  
Vol 133 (43) ◽  
Author(s):  
Jingyuan Sun ◽  
Meijuan Chen ◽  
Haotong Wang ◽  
Binbo Jiang ◽  
Carlos Mattea ◽  
...  
Keyword(s):  
Diffusion Coefficients ◽  
Self Diffusion ◽  
Pfg Nmr ◽  
Long Chain ◽  
Crystalline Polyethylene

PFG-NMR Measurements of the Self-Diffusion Coefficients of Water in Equilibrium Poly(HEMA-co-THFMA) Hydrogels

2002 ◽  
Vol 3 (3) ◽  
pp. 554-559 ◽  
Author(s):  
Phuong Y. Ghi ◽  
David J. T. Hill ◽  
Andrew K. Whittaker
Keyword(s):  
Diffusion Coefficients ◽  
The Self ◽  
Self Diffusion ◽  
Pfg Nmr

Measurements of self-diffusion coefficients of monensin in chloroform solution by PFG-NMR

1997 ◽  
Vol 93 (18) ◽  
pp. 3347-3350 ◽  
Author(s):  
Kunihiro Adachi ◽  
Makoto Natsuisaka ◽  
Akihiko Tanioka
Keyword(s):  
Diffusion Coefficients ◽  
Chloroform Solution ◽  
Self Diffusion ◽  
Pfg Nmr

Measurements of self-diffusion coefficients of water in porous membranes by PFG-NMR

Desalination ◽  
1999 ◽  
Vol 123 (1) ◽  
pp. 9-14 ◽  
Author(s):  
Kazuya Nitta ◽  
Makoto Natsuisaka ◽  
Akihiko Tanioka
Keyword(s):  
Diffusion Coefficients ◽  
Porous Membranes ◽  
Self Diffusion ◽  
Pfg Nmr

scholarly journals PFG-NMR and MD Simulation Study of Self-Diffusion Coefficients of Binary and Ternary Mixtures Containing Cyclohexane, Ethanol, Acetone, and Toluene

2021 ◽  
Author(s):  
Daniel Bellaire ◽  
Hendrik Kiepfer ◽  
Kerstin Münnemann ◽  
Hans Hasse
Keyword(s):  
Experimental Data ◽  
Diffusion Coefficients ◽  
Molecular Model ◽  
Ambient Pressure ◽  
Ternary Mixtures ◽  
Self Diffusion ◽  
Field Gradients ◽  
Binary And Ternary Mixtures ◽  
Pfg Nmr ◽  
Good Agreement

Recently, Guevara-Carrion et al. published a comprehensive molecular dynamics (MD) study on the thermodynamic properties of binary mixtures containing methanol, ethanol, acetone, benzene, cyclohexane, toluene, and carbon tetrachloride which also includes results on self-diffusion coefficients. However, for the mixtures acetone/cyclohexane, acetone/ethanol, acetone/toluene, cyclohexane/ethanol, and toluene/ethanol, no experimental data on self-diffusion coefficients were available for comparison. Therefore, in the present work, self-diffusion coefficients in these mixtures were measured by 1H NMR spectroscopy using pulsed field gradients (PFGs) at 298.15 K and ambient pressure. The experimental data were compared to the simulations of Guevara-Carrion et al. Good agreement was observed for all mixtures that do not contain ethanol, whereas, for ethanol-containing mixtures, the deviations were larger. This finding is attributed to deficiencies of the molecular model in describing the hydrogen-bonding of ethanol. Furthermore, self-diffusion data for the ternary mixture acetone/toluene/cyclohexane were measured and compared to molecular simulation data from the present work. Good agreement was observed.

What use for polysilsesquioxane lithium salts in lithium batteries?

2016 ◽  
Vol 40 (9) ◽  
pp. 7657-7662
Author(s):  
Mathieu Meyer ◽  
Lydie Viau ◽  
Ahmad Mehdi ◽  
Sophie Monge ◽  
Patrick Judeinstein ◽  
...  
Keyword(s):  
Molecular Weight ◽  
Nmr Spectroscopy ◽  
High Molecular Weight ◽  
Lithium Batteries ◽  
Diffusion Coefficients ◽  
Transference Numbers ◽  
Lithium Salts ◽  
Self Diffusion ◽  
Acetonitrile Solutions ◽  
Pfg Nmr

High molecular weight polysilsesquioxane lithium salts were prepared. Ion self-diffusion coefficients and transference numbers in acetonitrile solutions were quantified by PFG NMR spectroscopy.

scholarly journals Diffusion Coefficients at Infinite Dilution of Carbon Dioxide and Methane in Water, Ethanol, Cyclohexane, Toluene, Methanol, and Acetone: A PFG-NMR and MD Simulation Study

2021 ◽  
Author(s):  
Daniel Bellaire ◽  
Oliver Großmann ◽  
Kerstin Münnemann ◽  
Hans Hasse
Keyword(s):  
Carbon Dioxide ◽  
Diffusion Coefficient ◽  
Diffusion Coefficients ◽  
Infinite Dilution ◽  
The Self ◽  
Resonance Spectroscopy ◽  
Self Diffusion ◽  
P Diffusion ◽  
Dynamics Simulations ◽  
Pfg Nmr

Diffusion coefficients at infinite dilution are important basic data for all processes involving mass transfer. They can be obtained from studying samplesin equilibrium using nuclear magnetic resonance spectroscopy with pulsed field gradients (PFG-NMR), a technique which is widely used in chemistry but isonly rarely applied in engineering studies. This advantageous technique was employed here to measure the self-diffusion coefficients of diluted solutions ofcarbon dioxide and methane in the pure solvents water, ethanol, cyclohexane, toluene, methanol, and acetone at 298.15 K. For the systems (carbon dioxide +water) and (carbon dioxide + ethanol), measurements were also carried out at 308.15 K, 318.15 K and 333.15 K. Except for (methane + water) and (methane +toluene), no literature data for the methane-containing systems were previously available. At the studied solute concentrations, there is practically no differencebetween the self-diffusion coefficient and the mutual diffusion coefficient. The experimental results are compared to experimental literature data as well as toresults from semi-empirical methods for the prediction of diffusion coefficients at infinite dilution. Furthermore, molecular dynamics simulations were carried outfor all systems to determine the diffusion coefficient at infinite dilution based on force fields that were taken from the literature, and the results are compared tothe experimental data and those from the classical prediction methods.

The self-diffusion of polymethylsilsesquioxane (PMSSO) dendrimers in diluted solutions and melts

Soft Matter ◽  
2020 ◽  
Vol 16 (42) ◽  
pp. 9712-9725
Author(s):  
Konstantin Boldyrev ◽  
Alexander Chernyak ◽  
Ivan Meshkov ◽  
Aziz Muzafarov ◽  
Elena Tatarinova ◽  
...  
Keyword(s):  
Temperature Dependence ◽  
Diffusion Coefficients ◽  
The Self ◽  
Self Diffusion ◽  
Pfg Nmr

We investigate the temperature dependence of the self-diffusion coefficients of PMSSO dendrimers by PFG NMR in melts and diluted solutions to reveal the effect of the inner structure of these molecules on their translational dynamics.

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