Dielectric spectroscopy of a polymerizing liquid and the evolution of molecular dynamics with increase in the number of covalent bonds

1995 ◽  
Vol 103 (1) ◽  
pp. 440-450 ◽  
Author(s):  
M. G. Parthun ◽  
G. P. Johari
Keyword(s):  
Molecular Dynamics ◽  
Dielectric Spectroscopy ◽  
Covalent Bonds

scholarly journals Broadband Dielectric Spectroscopy Study of Biobased Poly(alkylene 2,5-furanoate)s’ Molecular Dynamics

Polymers ◽  
2020 ◽  
Vol 12 (6) ◽  
pp. 1355 ◽  
Author(s):  
Michelina Soccio ◽  
Daniel E. Martínez-Tong ◽  
Giulia Guidotti ◽  
Beatriz Robles-Hernández ◽  
Andrea Munari ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Dielectric Spectroscopy ◽  
Relaxation Times ◽  
Barrier Properties ◽  
Polymer Processing ◽  
Industrial Applications ◽  
Structure Property ◽  
Property Relations ◽  
Broadband Dielectric Spectroscopy ◽  
Segmental Relaxation

Poly(2,5-alkylene furanoate)s are bio-based, smart, and innovative polymers that are considered the most promising materials to replace oil-based plastics. These polymers can be synthesized using ecofriendly approaches, starting from renewable sources, and result into final products with properties comparable and even better than those presented by their terephthalic counterparts. In this work, we present the molecular dynamics of four 100% bio-based poly(alkylene 2,5-furanoate)s, using broadband dielectric spectroscopy measurements that covered a wide temperature and frequency range. We unveiled complex local relaxations, characterized by the simultaneous presence of two components, which were dependent on thermal treatment. The segmental relaxation showed relaxation times and strengths depending on the glycolic subunit length, which were furthermore confirmed by high-frequency experiments in the molten region of the polymers. Our results allowed determining structure–property relations that are able to provide further understanding about the excellent barrier properties of poly(alkylene 2,5-furanoate)s. In addition, we provide results of high industrial interest during polymer processing for possible industrial applications of poly(alkylene furanoate)s.

scholarly journals Molecular dynamics of a binary mixture of twist-bend nematic liquid crystal dimers studied by dielectric spectroscopy

2016 ◽  
Vol 93 (6) ◽  
Author(s):  
Beatriz Robles-Hernández ◽  
Nerea Sebastián ◽  
Josep Salud ◽  
Sergio Diez-Berart ◽  
David A. Dunmur ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Liquid Crystal ◽  
Binary Mixture ◽  
Nematic Liquid Crystal ◽  
Dielectric Spectroscopy

Molecular dynamics of poly(butylene tert-butyl isophthalate) and its copolymers with poly(butylene terephthalate) as revealed by broadband dielectric spectroscopy

Polymer ◽  
2006 ◽  
Vol 47 (20) ◽  
pp. 7078-7084 ◽  
Author(s):  
Aurora Nogales ◽  
Alejandro Sanz ◽  
Tiberio A. Ezquerra ◽  
Robert Quintana ◽  
Sebastian Muñoz-Guerra
Keyword(s):  
Molecular Dynamics ◽  
Dielectric Spectroscopy ◽  
Butylene Terephthalate ◽  
Tert Butyl ◽  
Broadband Dielectric Spectroscopy

Molecular dynamics of discotic charge-transfer complexes, dielectric spectroscopy and2H NMR studie

1994 ◽  
Vol 17 (3) ◽  
pp. 381-395 ◽  
Author(s):  
M. Möller ◽  
J. H. Wendorff ◽  
M. Wert ◽  
H. W. Spiess ◽  
H. Bengs ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Charge Transfer ◽  
Dielectric Spectroscopy ◽  
Charge Transfer Complexes

Molecular dynamics in semifluorinated side-chain polyesters as studied by broadband dielectric spectroscopy

Polymer ◽  
2006 ◽  
Vol 47 (20) ◽  
pp. 7189-7197 ◽  
Author(s):  
Julius Tsuwi ◽  
Lutz Hartmann ◽  
Friedrich Kremer ◽  
Doris Pospiech ◽  
Dieter Jehnichen ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Dielectric Spectroscopy ◽  
Side Chain ◽  
Broadband Dielectric Spectroscopy

scholarly journals On the Vibration of Single-Walled Carbon Nanocones: Molecular Mechanics Approach versus Molecular Dynamics Simulations

2014 ◽  
Vol 2014 ◽  
pp. 1-8 ◽  
Author(s):  
R. Ansari ◽  
A. Momen ◽  
S. Rouhi ◽  
S. Ajori
Keyword(s):  
Molecular Dynamics ◽  
Boundary Conditions ◽  
Molecular Dynamics Simulations ◽  
Natural Frequency ◽  
Structural Method ◽  
Covalent Bonds ◽  
Carbon Nanocones ◽  
Single Walled Carbon ◽  
Vibrational Behavior ◽  
Dynamics Simulations

The vibrational behavior of single-walled carbon nanocones is studied using molecular structural method and molecular dynamics simulations. In molecular structural approach, point mass and beam elements are employed to model the carbon atoms and the connecting covalent bonds, respectively. Single-walled carbon nanocones with different apex angles are considered. Besides, the vibrational behavior of nanocones under various types of boundary conditions is studied. Predicted natural frequencies are compared with the existing results in the literature and also with the ones obtained by molecular dynamics simulations. It is found that decreasing apex angle and the length of carbon nanocone results in an increase in the natural frequency. Comparing the vibrational behavior of single-walled carbon nanocones under different boundary conditions shows that the effect of end condition on the natural frequency is more prominent for nanocones with smaller apex angles.

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