Published February 2018 | Version v1
Journal article Metadata-only

Molecular structure and radial distribution functions for polyurethane using molecular dynamics simulation

Creators

  • 1. School of Physical Science and Technology, Southwest Jiaotong University, Chengdu (China)
  • 2. Institute of Nuclear Physics and Chemistry, China Academy of Engineering Physics, Mianyang (China)
  • 3. Superconductivity and New Energy R and D Center,Southwest Jiaotong University, Chengdu (China)

Description

The structures and distance distribution functions of DHI - butyl alcohol polymerization system were calculated by using molecular dynamics method. The relationships of the system structure and the distance distribution functions with the temperature and pressure are discussed. The effects of temperature and pressure on the curing system and mechanism are analyzed. The results show a positive significance for the increase of the adhesion of the polyurethane system. (authors)

Additional details

Identifiers

DOI
10.3969/j.issn.1000-0364.2018.01.020;

Publishing Information

Journal Title
Journal of Atomic and Molecular Physics
Journal Volume
35
Journal Issue
1
Journal Page Range
p. 122-126
ISSN
1000-0364

INIS

Country of Publication
China
Country of Input or Organization
China
INIS RN
54104530
Subject category
S74: ATOMIC AND MOLECULAR PHYSICS;
Descriptors DEI
BUTANOLS; DISTRIBUTION FUNCTIONS; MOLECULAR DYNAMICS METHOD; MOLECULAR STRUCTURE; POLYURETHANES; SIMULATION; SPATIAL DISTRIBUTION
Descriptors DEC
ALCOHOLS; CALCULATION METHODS; DISTRIBUTION; FUNCTIONS; HYDROXY COMPOUNDS; MATERIALS; ORGANIC COMPOUNDS; ORGANIC POLYMERS; PETROCHEMICALS; PETROLEUM PRODUCTS; PLASTICS; POLYAMIDES; POLYMERS; SYNTHETIC MATERIALS

Optional Information

Notes
4 figs., 16 refs.; http://dx.doi.org/10.3969/j.issn.1000-0364.2018.01.020