Molecular dynamics simulations of the dielectric relaxation behavior of polymers and their solutions at high temperatures

Literature Information

Publication Date 2002-01-15
DOI 10.1039/B106480K
Impact Factor 3.676
Authors

E. Saiz, E. Riande


View Original

Abstract

In this paper the dielectric relaxation behavior at high temperatures of bulk poly(vinyl acetate) and of its toluene solutions is simulated using molecular dynamics procedures and compared with experimental results obtained for these systems in a wide range of temperatures. The relaxation behavior is described by a stretched exponential function, the exponent of which lies in the range 0.5–0.6. Moreover, the temperature dependence of the mean relaxation time of the absorption is rather weak in comparison with that reported for the α relaxation of supercooled liquids near Tg.

Related Literature

p-TsOH-mediated synthesis of substituted 2,4-diaryl-3-sulfonylquinolines from functionalized 2-aminobenzophenones and aromatic β-ketosulfones under microwave irradiation

Chieh-Kai Chan, Chien-Yu Lai, Wei-Chih Lo, Yu-Ting Cheng, Cheng-Chung Wang

2019-12-11 Paper

DOI: 10.1039/C9OB02445J

Introducing sequential aza-amino acids units induces repeated β-turns and helical conformations in peptides

Nicolo Tonali, Isabelle Correia, Jacopo Lesma, Guillaume Bernadat, Sandrine Ongeri, Olivier Lequin

2020-02-17 Communication

DOI: 10.1039/C9OB02654A

Front cover

Cover

DOI: 10.1039/D0OB90026E

Mechanism and stereoselectivity of benzylic C–H hydroxylation by Ru–porphyrin: a computational study

Xiahe Chen, Qunmin Wang, Haimin Shen, Guijie Li, Yun-Fang Yang, Yuan-Bin She

2019-12-09 Paper

DOI: 10.1039/C9OB02415H

Back cover

Cover

DOI: 10.1039/D0OB90006K

CuBr2-catalyzed diastereoselective allylation: total synthesis of decytospolides A and B and their C6-epimers

Birakishore Padhi, G. Sudhakar Reddy, N. Arjunreddy Mallampudi, Utkal Mani Choudhury, Debendra K. Mohapatra

2020-03-09 Paper

DOI: 10.1039/C9OB02689D

Biomimetic total syntheses of baefrutones A–D, baeckenon B, and frutescones A, D–F

Ji-Qin Hou, Jiang-Hong Yu, Heng Zhao, Ying-Ying Dong, Qiu-Shi Peng, Bao-Bao Zhang, Hao Wang

2020-01-14 Paper

DOI: 10.1039/C9OB02490E

Highly selective staining and quantification of intracellular lipid droplets with a compact push–pull fluorophore based on benzothiadiazole

S. Israel Suarez, Caroline C. Warner, Heather Brown-Harding, Andrea M. Thooft, Brett VanVeller, John C. Lukesh, III

2019-12-12 Paper

DOI: 10.1039/C9OB02486G

Contents list

Front/Back Matter

DOI: 10.1039/D0OB90027C

Inside front cover

Cover

DOI: 10.1039/D0OB90054K

You might also like

Compound Q&A

What regulatory guidelines apply to 6-Bromo-2-methylimidazo[1,2-a]pyrimidine (CAS: 1111638-05-1)?

6-Bromo-2-methylimidazo[1,2-a]pyrimidine (CAS: 1111638-05-1) falls under various...

1111638-05-16-Bromo-2-methylimid...
Compound Q&A

Are there alternatives to 1-Pyrrolidineethanol, β-methyl-α-phenyl-, (αS,βR) (CAS: 123620-80-4) in synthesis?

While there are no direct alternatives, similar compounds like 1-Pyrrolidineetha...

123620-80-41-Pyrrolidineethanol...
Compound Q&A

Is 4-Methyl-2,6-bis(2-methyl-2-propanyl)phenyl methylcarbamate (CAS: 1918-11-2) safe?

4-Methyl-2,6-bis(2-methyl-2-propanyl)phenyl methylcarbamate (CAS: 1918-11-2) is ...

1918-11-24-Methyl-2,6-bis(2-m...
Compound Q&A

How should 2-(3-Bromo-4-fluorophenyl)-1,3-dioxolane (CAS: 77771-04-1) be stored?

2-(3-Bromo-4-fluorophenyl)-1,3-dioxolane (CAS: 77771-04-1) should be stored in a...

77771-04-12-(3-Bromo-4-fluorop...
Compound Q&A

What are the physical and chemical properties of 4,5,6,7-Tetrahydro-1H-indazole hydrochloride (CAS: 18161-11-0)?

4,5,6,7-Tetrahydro-1H-indazole hydrochloride is a white crystalline solid with a...

18161-11-04,5,6,7-Tetrahydro-1...
Compound Q&A

What is (2R)-1-Methoxy-3-phenyl-2-propanamine (CAS: 59919-07-2)?

(2R)-1-Methoxy-3-phenyl-2-propanamine is a chiral organic compound with the CAS ...

59919-07-2(2R)-1-Methoxy-3-phe...
Compound Q&A

What industries use Ethyl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate (CAS: 56649-47-9)?

Ethyl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate is used in various industries...

56649-47-9Ethyl 1-(1-phenyleth...
Compound Q&A

What regulatory guidelines apply to 4-[(1E,3S)-1-(4-Hydroxyphenyl)-1,4-pentadien-3-yl]phenol (CAS: 17676-24-3)?

4-[(1E,3S)-1-(4-Hydroxyphenyl)-1,4-pentadien-3-yl]phenol (CAS: 17676-24-3) falls...

17676-24-34-[(1E,3S)-1-(4-Hydr...
Compound Q&A

What industries use (S)-3-Amino-5-phenylpentanoic acid hydrochloride (CAS: 331846-97-0)?

(S)-3-Amino-5-phenylpentanoic acid hydrochloride is primarily used in the pharma...

331846-97-0(S)-3-Amino-5-phenyl...
Compound Q&A

How is 7-methoxy-1-benzothiophene-2-carboxylic acid (CAS: 88791-07-5) typically synthesized?

7-Methoxy-1-benzothiophene-2-carboxylic acid is typically synthesized by reactin...

88791-07-57-methoxy-1-benzothi...

Source Journal

Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
Self-citation Rate: 10.3%
Articles per Year: 3036

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

Recommended Compounds

Recommended Suppliers

Disclaimer
This page provides academic journal information for reference and research purposes only. We are not affiliated with any journal publishers and do not handle publication submissions. For publication-related inquiries, please contact the respective journal publishers directly.
If you notice any inaccuracies in the information displayed, please contact us at support@chemtradehub.com. We will promptly review and address your concerns.