Monte Carlo simulations of symmetric and asymmetric angular model liquids

Sofia Calero; B. Garzón; J.A. Mejías; S. Lago

doi:10.1063/1.1353551

Monte Carlo simulations of symmetric and asymmetric angular model liquids

Sofia Calero, B. Garzón, J.A. Mejías, S. Lago

Onderzoeksoutput: Bijdrage aan tijdschrift › Tijdschriftartikel › Academic › peer review

3 Citaten (Scopus)

Samenvatting

The thermodynamic analysis and structural properties of three angular models was presented. Monte Carlo simulations were performed to the fluids made of nonpolar angular αβγ molecules in the NVT ensemble. The first model presented is an angular model of propane. The second model consists of nonsymmetrical molecules and third molecule is a symmetric one. The results for the site-site correlation function was presented which is obtained from histograms of the site-site distances during the simulations.

Originele taal-2	Engels
Pagina's (van-tot)	9075-9082
Aantal pagina's	8
Tijdschrift	Journal of Chemical Physics
Volume	114
Nummer van het tijdschrift	20
DOI's	https://doi.org/10.1063/1.1353551
Status	Gepubliceerd - 22 mei 2001
Extern gepubliceerd	Ja

Toegang tot document

10.1063/1.1353551

Andere bestanden en links

Link to publication in Scopus

Citeer dit

@article{69a362675b644e8090d803746a08aaac,

title = "Monte Carlo simulations of symmetric and asymmetric angular model liquids",

abstract = "The thermodynamic analysis and structural properties of three angular models was presented. Monte Carlo simulations were performed to the fluids made of nonpolar angular αβγ molecules in the NVT ensemble. The first model presented is an angular model of propane. The second model consists of nonsymmetrical molecules and third molecule is a symmetric one. The results for the site-site correlation function was presented which is obtained from histograms of the site-site distances during the simulations.",

author = "Sofia Calero and B. Garz{\'o}n and J.A. Mej{\'i}as and S. Lago",

year = "2001",

month = may,

day = "22",

doi = "10.1063/1.1353551",

language = "English",

volume = "114",

pages = "9075--9082",

journal = "Journal of Chemical Physics",

issn = "0021-9606",

publisher = "American Institute of Physics",

number = "20",

}

TY - JOUR

T1 - Monte Carlo simulations of symmetric and asymmetric angular model liquids

AU - Calero, Sofia

AU - Garzón, B.

AU - Mejías, J.A.

AU - Lago, S.

PY - 2001/5/22

Y1 - 2001/5/22

N2 - The thermodynamic analysis and structural properties of three angular models was presented. Monte Carlo simulations were performed to the fluids made of nonpolar angular αβγ molecules in the NVT ensemble. The first model presented is an angular model of propane. The second model consists of nonsymmetrical molecules and third molecule is a symmetric one. The results for the site-site correlation function was presented which is obtained from histograms of the site-site distances during the simulations.

AB - The thermodynamic analysis and structural properties of three angular models was presented. Monte Carlo simulations were performed to the fluids made of nonpolar angular αβγ molecules in the NVT ensemble. The first model presented is an angular model of propane. The second model consists of nonsymmetrical molecules and third molecule is a symmetric one. The results for the site-site correlation function was presented which is obtained from histograms of the site-site distances during the simulations.

UR - http://www.scopus.com/inward/record.url?scp=0035932850&partnerID=8YFLogxK

U2 - 10.1063/1.1353551

DO - 10.1063/1.1353551

M3 - Article

AN - SCOPUS:0035932850

SN - 0021-9606

VL - 114

SP - 9075

EP - 9082

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

IS - 20

ER -

Monte Carlo simulations of symmetric and asymmetric angular model liquids

Samenvatting

Toegang tot document

Andere bestanden en links

Vingerafdruk

Citeer dit