X-ray scattering study and molecular simulation of glass forming liquids: Propylene carbonate and salol

E. Eckstein, Jiang Qian, R. Hentschke, T. Thurn-Albrecht, W. Steffen, E. W. Fischer

Research output: Contribution to journalArticle

Abstract

The structural and dynamic properties of two low-molecular weight glass-forming liquids, propylene carbonate (PC) and salol were studied using wide angle x-ray scattering and classical molecular dynamic simulations. The underlying structure of the liquid propylene carbonate and salol were investigated as a result of the observed scattering curves in three different regions with different temperature behavior. The molecular-dynamics simulations show an increased orientational correlation approaching the glass transition temperature. The changing pattern were observed as evidence for the occurrence of heterophases in liquid PC and salol.

Original languageEnglish (US)
Pages (from-to)4751-4762
Number of pages12
JournalThe Journal of Chemical Physics
Volume113
Issue number11
DOIs
StatePublished - Sep 2000
Externally publishedYes

Fingerprint

propylene
X ray scattering
carbonates
Glass
Molecular dynamics
glass
Liquids
liquids
scattering
Scattering
molecular dynamics
x rays
simulation
Computer simulation
low molecular weights
x ray scattering
dynamic characteristics
glass transition temperature
Molecular weight
occurrences

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

Cite this

X-ray scattering study and molecular simulation of glass forming liquids : Propylene carbonate and salol. / Eckstein, E.; Qian, Jiang; Hentschke, R.; Thurn-Albrecht, T.; Steffen, W.; Fischer, E. W.

In: The Journal of Chemical Physics, Vol. 113, No. 11, 09.2000, p. 4751-4762.

Research output: Contribution to journalArticle

Eckstein, E. ; Qian, Jiang ; Hentschke, R. ; Thurn-Albrecht, T. ; Steffen, W. ; Fischer, E. W. / X-ray scattering study and molecular simulation of glass forming liquids : Propylene carbonate and salol. In: The Journal of Chemical Physics. 2000 ; Vol. 113, No. 11. pp. 4751-4762.
@article{6afd5ca229fd4f71856b727c0c544336,
title = "X-ray scattering study and molecular simulation of glass forming liquids: Propylene carbonate and salol",
abstract = "The structural and dynamic properties of two low-molecular weight glass-forming liquids, propylene carbonate (PC) and salol were studied using wide angle x-ray scattering and classical molecular dynamic simulations. The underlying structure of the liquid propylene carbonate and salol were investigated as a result of the observed scattering curves in three different regions with different temperature behavior. The molecular-dynamics simulations show an increased orientational correlation approaching the glass transition temperature. The changing pattern were observed as evidence for the occurrence of heterophases in liquid PC and salol.",
author = "E. Eckstein and Jiang Qian and R. Hentschke and T. Thurn-Albrecht and W. Steffen and Fischer, {E. W.}",
year = "2000",
month = "9",
doi = "10.1063/1.1288907",
language = "English (US)",
volume = "113",
pages = "4751--4762",
journal = "Journal of Chemical Physics",
issn = "0021-9606",
publisher = "American Institute of Physics Publising LLC",
number = "11",

}

TY - JOUR

T1 - X-ray scattering study and molecular simulation of glass forming liquids

T2 - Propylene carbonate and salol

AU - Eckstein, E.

AU - Qian, Jiang

AU - Hentschke, R.

AU - Thurn-Albrecht, T.

AU - Steffen, W.

AU - Fischer, E. W.

PY - 2000/9

Y1 - 2000/9

N2 - The structural and dynamic properties of two low-molecular weight glass-forming liquids, propylene carbonate (PC) and salol were studied using wide angle x-ray scattering and classical molecular dynamic simulations. The underlying structure of the liquid propylene carbonate and salol were investigated as a result of the observed scattering curves in three different regions with different temperature behavior. The molecular-dynamics simulations show an increased orientational correlation approaching the glass transition temperature. The changing pattern were observed as evidence for the occurrence of heterophases in liquid PC and salol.

AB - The structural and dynamic properties of two low-molecular weight glass-forming liquids, propylene carbonate (PC) and salol were studied using wide angle x-ray scattering and classical molecular dynamic simulations. The underlying structure of the liquid propylene carbonate and salol were investigated as a result of the observed scattering curves in three different regions with different temperature behavior. The molecular-dynamics simulations show an increased orientational correlation approaching the glass transition temperature. The changing pattern were observed as evidence for the occurrence of heterophases in liquid PC and salol.

UR - http://www.scopus.com/inward/record.url?scp=0034270660&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0034270660&partnerID=8YFLogxK

U2 - 10.1063/1.1288907

DO - 10.1063/1.1288907

M3 - Article

AN - SCOPUS:0034270660

VL - 113

SP - 4751

EP - 4762

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

SN - 0021-9606

IS - 11

ER -