Monte Carlo study of the static and dynamic behaviors of polymer chains near an adsorbent surface

A. Carlos Hernandez, Kristen Ann Fichthorn

Research output: Contribution to journalArticle

1 Citation (Scopus)

Abstract

Using the Monte Carlo method for the bond fluctuation model a study of the static and dynamic properties of polymer chains in the adsorption process on a solid surface is analyzed. Following the course of individual chains a detailed description of their structure, chain conformation, surface coverage and volume fraction profiles were measured for systems with a different number of chains over a wide range of temperatures. For the dynamics, the time relaxation function and relaxation time were analyzed for systems at different temperatures and concentration of chains.

Original languageEnglish (US)
Pages (from-to)1307-1313
Number of pages7
JournalInternational Journal of Hydrogen Energy
Volume26
Issue number12
DOIs
StatePublished - Dec 1 2001

Fingerprint

adsorbents
Relaxation time
Adsorbents
polymers
Polymers
Conformations
Volume fraction
Monte Carlo methods
relaxation time
Adsorption
Temperature
time functions
solid surfaces
dynamic characteristics
Monte Carlo method
adsorption
temperature
profiles

All Science Journal Classification (ASJC) codes

  • Renewable Energy, Sustainability and the Environment
  • Fuel Technology
  • Condensed Matter Physics
  • Energy Engineering and Power Technology

Cite this

@article{932ec8078088432da241db4695b37b2f,
title = "Monte Carlo study of the static and dynamic behaviors of polymer chains near an adsorbent surface",
abstract = "Using the Monte Carlo method for the bond fluctuation model a study of the static and dynamic properties of polymer chains in the adsorption process on a solid surface is analyzed. Following the course of individual chains a detailed description of their structure, chain conformation, surface coverage and volume fraction profiles were measured for systems with a different number of chains over a wide range of temperatures. For the dynamics, the time relaxation function and relaxation time were analyzed for systems at different temperatures and concentration of chains.",
author = "Hernandez, {A. Carlos} and Fichthorn, {Kristen Ann}",
year = "2001",
month = "12",
day = "1",
doi = "10.1016/S0360-3199(01)00069-6",
language = "English (US)",
volume = "26",
pages = "1307--1313",
journal = "International Journal of Hydrogen Energy",
issn = "0360-3199",
publisher = "Elsevier Limited",
number = "12",

}

Monte Carlo study of the static and dynamic behaviors of polymer chains near an adsorbent surface. / Hernandez, A. Carlos; Fichthorn, Kristen Ann.

In: International Journal of Hydrogen Energy, Vol. 26, No. 12, 01.12.2001, p. 1307-1313.

Research output: Contribution to journalArticle

TY - JOUR

T1 - Monte Carlo study of the static and dynamic behaviors of polymer chains near an adsorbent surface

AU - Hernandez, A. Carlos

AU - Fichthorn, Kristen Ann

PY - 2001/12/1

Y1 - 2001/12/1

N2 - Using the Monte Carlo method for the bond fluctuation model a study of the static and dynamic properties of polymer chains in the adsorption process on a solid surface is analyzed. Following the course of individual chains a detailed description of their structure, chain conformation, surface coverage and volume fraction profiles were measured for systems with a different number of chains over a wide range of temperatures. For the dynamics, the time relaxation function and relaxation time were analyzed for systems at different temperatures and concentration of chains.

AB - Using the Monte Carlo method for the bond fluctuation model a study of the static and dynamic properties of polymer chains in the adsorption process on a solid surface is analyzed. Following the course of individual chains a detailed description of their structure, chain conformation, surface coverage and volume fraction profiles were measured for systems with a different number of chains over a wide range of temperatures. For the dynamics, the time relaxation function and relaxation time were analyzed for systems at different temperatures and concentration of chains.

UR - http://www.scopus.com/inward/record.url?scp=0035545992&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0035545992&partnerID=8YFLogxK

U2 - 10.1016/S0360-3199(01)00069-6

DO - 10.1016/S0360-3199(01)00069-6

M3 - Article

VL - 26

SP - 1307

EP - 1313

JO - International Journal of Hydrogen Energy

JF - International Journal of Hydrogen Energy

SN - 0360-3199

IS - 12

ER -