Advanced search
Publication Cover
Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 68, 1989 - Issue 5
Submit an article Journal homepage
61
Views
46
CrossRef citations to date
0
Altmetric
Original Articles

Molecular dynamics studies for the new refrigerant R152a with simple model potentials

Carlos Vega Institut für Thermo- und Fluiddynamik, Ruhr-Universität, D-4630, Bochum 1, F.R. Germany; Departmento de Quimica Fisica, Facultad de Ciencias Quimicas, Universidad Complutense, E-28040, Madrid, Spain
,
Berthold Saager Institut für Thermo- und Fluiddynamik, Ruhr-Universität, D-4630, Bochum 1, F.R. Germany
&
Johann Fischer Institut für Thermo- und Fluiddynamik, Ruhr-Universität, D-4630, Bochum 1, F.R. Germany
Pages 1079-1093 | Received 17 Jul 1989, Accepted 01 Aug 1989, Published online: 26 Oct 2007

Citations (46)

Keep up to date with the latest research on this topic with citation updates for this article.

Subscribe to citation updates

Read on this site (11)

Rolf Lustig, Carlos Vega & Jadran Vrabec$suffix/text()$suffix/text(). (2017) Special Issue of Molecular Physics in Honour of Professor Johann Fischer. Molecular Physics 115:9-12, pages 1015-1016.
Read now
A.L. Benavides, M.A. Portillo, J.L.F. Abascal & C. Vega. (2017) Estimating the solubility of 1:1 electrolyte aqueous solutions: the chemical potential difference rule. Molecular Physics 115:9-12, pages 1301-1308.
Read now
Stephan Korden, Nguyen Van Nhu, Jadran Vrabec, Joachim Gross & Kai Leonhard. (2012) On the Treatment of Electrostatic Interactions of Non-spherical Molecules in Equation of State Models. Soft Materials 10:1-3, pages 81-105.
Read now
L. Meng & Y.-Y. Duan. (2006) Site–site potential function and second virial coefficients for linear molecules. Molecular Physics 104:18, pages 2891-2899.
Read now
S. C. Potter, D. J. Tildesley, A.N. Burgess & S. C. Rogers. (1997) A transferable potential model for the liquid-vapour equilibria of fluoromethanes. Molecular Physics 92:5, pages 825-834.
Read now
By SEIJI HIGASHI and AKIRA TAKADA. (1997) Molecular dynamics study of liquid CH2 F2 (HFC-32). Molecular Physics 92:4, pages 641-650.
Read now
Friedrich Kohler & Nguyen Van Nhu. (1993) The second virial coefficients of some halogenated ethanes. Molecular Physics 80:4, pages 795-800.
Read now
Andreas Müller, Jochen Winkelmann, Tomáš Boublík & Johann Fischer. (1993) Mixtures of dipolar with nonpolar linear molecules. Molecular Physics 78:1, pages 121-135.
Read now
Carlos Vega & KeithE. Gubbins. (1992) Monte Carlo study of quadrupolar Kihara fluids. Molecular Physics 75:4, pages 881-895.
Read now
Antonio López Rodríguez, Carlos Vega, JuanJ. Freire & Santiago Lago. (1991) Potential parameters of methyl and methylene obtained from second virial coefficients of n-alkanes. Molecular Physics 73:3, pages 691-701.
Read now
Berthold Saager, Johann Fischer & Martin Neumann. (1991) Reaction Field Simulations of Monatomic and Diatomic Dipolar Fluids. Molecular Simulation 6:1-3, pages 27-49.
Read now

Articles from other publishers (35)

Nan Zhang, Peng Hu, Longxiang Chen & Lianghui Zhi. (2020) Molecular modeling of vapor-liquid equilibrium properties of HFC-161 and its mixture HFC-161+HFO-1234yf. Journal of Molecular Liquids 306, pages 112896.
Crossref
Stéphane Tromp, Laurent Joly, Manuel Cobian & Nicolas Fillot. (2019) Tribological Performance of the R1233zd Refrigerant in Extreme Confinement at the Nanoasperity Level: A Molecular Dynamics Study Using an ab Initio-Based Force Field. Tribology Letters 67:3.
Crossref
Stéphane Tromp, Laurent Joly, Manuel Cobian & Nicolas Fillot. (2018) Chemical Physics at Interfaces within a Refrigerant-Lubricated Contact: From Electronic Structure to Large-Scale Molecular Dynamics Simulations. The Journal of Physical Chemistry C 122:10, pages 5420-5429.
Crossref
Francisco Gámez. (2016) Numerical evaluation of the second virial coefficients of anisotropic multipolar intermolecular potentials. Journal of Molecular Liquids 220, pages 731-734.
Crossref
Stephan Werth, Martin Horsch & Hans Hasse. (2016) Surface tension of the two center Lennard-Jones plus point dipole fluid. The Journal of Chemical Physics 144:5.
Crossref
Zhi Yang, Maoqiong Gong, Xueqiang Dong, Xiaodong Li & Jianfeng Wu. (2015) Molecular modeling and simulation of vapor–liquid equilibrium of the refrigerant R152a and its mixture R152a+R32. Fluid Phase Equilibria 394, pages 93-100.
Crossref
Francisco Gámez, Santiago Lago, Álvaro Plaza-Reyes & Alfredo González-Calderón. (2011) Second virial coefficients of mesogenic intermolecular potentials. Journal of Molecular Liquids 164:1-2, pages 153-156.
Crossref
A.J. de Villiers, C.E. Schwarz & A.J. Burger. (2011) Improving vapour–liquid-equilibria predictions for mixtures with non-associating polar components using sPC-SAFT extended with two dipolar terms. Fluid Phase Equilibria 305:2, pages 174-184.
Crossref
F. Castro-Marcano, C. G. Olivera-Fuentes & C. M. Colina. (2008) Joule−Thomson Inversion Curves and Third Virial Coefficients for Pure Fluids from Molecular-Based Models. Industrial & Engineering Chemistry Research 47:22, pages 8894-8905.
Crossref
Nayef M. Al-Saifi, Esam Z. Hamad & Peter Englezos. (2008) Prediction of vapor–liquid equilibrium in water–alcohol–hydrocarbon systems with the dipolar perturbed-chain SAFT equation of state. Fluid Phase Equilibria 271:1-2, pages 82-93.
Crossref
G.A. Fernández, J. Vrabec & H. Hasse. (2006) Transport properties of anisotropic polar fluids. Fluid Phase Equilibria 249:1-2, pages 131-139.
Crossref
Eirini K. Karakatsani & Ioannis G. Economou. (2006) Perturbed Chain-Statistical Associating Fluid Theory Extended to Dipolar and Quadrupolar Molecular Fluids. The Journal of Physical Chemistry B 110:18, pages 9252-9261.
Crossref
Joachim Gross & Jadran Vrabec. (2005) An equation‐of‐state contribution for polar components: Dipolar molecules. AIChE Journal 52:3, pages 1194-1204.
Crossref
Jürgen Stoll, Jadran Vrabec & Hans Hasse. (2003) A set of molecular models for carbon monoxide and halogenated hydrocarbons. The Journal of Chemical Physics 119:21, pages 11396-11407.
Crossref
Jürgen Stoll, Jadran Vrabec & Hans Hasse. (2003) Comprehensive study of the vapour–liquid equilibria of the pure two-centre Lennard–Jones plus pointdipole fluid. Fluid Phase Equilibria 209:1, pages 29-53.
Crossref
M. Brunelli & A. N. Fitch. (2002) Crystal structures of hydrofluorocarbons from powder X-ray diffraction data: HFC-134a and HFC-152a. Zeitschrift für Kristallographie - Crystalline Materials 217:7-8.
Crossref
Eugenio Jaramillo, Clare P. Grey & Scott M. Auerbach. (2001) Molecular Dynamics Studies of Hydrofluorocarbons in Faujasite-type Zeolites:  Modeling Guest-Induced Cation Migration in Dry Zeolites. The Journal of Physical Chemistry B 105:49, pages 12319-12329.
Crossref
Maurizio Fermeglia & Sabrina Pricl. (1999) A novel approach to thermophysical properties prediction for chloro-fluoro-hydrocarbons. Fluid Phase Equilibria 166:1, pages 21-37.
Crossref
G.T Gao, Wenchuan Wang & X.C Zeng. (1999) Gibbs ensemble simulation of HCFC/HFC mixtures by effective Stockmayer potential. Fluid Phase Equilibria 158-160, pages 69-78.
Crossref
Pál Jedlovszky & Mihaly Mezei. (1999) Computer simulation study of liquid CH2F2 with a new effective pair potential model. The Journal of Chemical Physics 110:6, pages 2991-3002.
Crossref
Matthias Hloucha & Ulrich K. Deiters. (1998) Monte Carlo study of the thermodynamic properties and the static dielectric constant of liquid trifluoromethane. Fluid Phase Equilibria 149:1-2, pages 41-56.
Crossref
Christian Kriebel, Matthias Mecke, Jochen Winkelmann, Jadran Vrabec & Johann Fischer. (1998) An equation of state for dipolar two-center Lennard–Jones molecules and its application to refrigerants. Fluid Phase Equilibria 142:1-2, pages 15-32.
Crossref
S.C. POTTER, D.J. TILDESLEY, A.N. BURGESS & S.C. ROGERS. (1997) A transferable potential model for the liquid-vapour equilibria of fluoromethanes. Molecular Physics 92:5, pages 825-833.
Crossref
M. Lísal, R. Budinský & V. Vacek. (1997) Vapour-liquid equilibria for dipolar two-centre Lennard-Jones fluids by Gibbs-Duhem integration. Fluid Phase Equilibria 135:2, pages 193-207.
Crossref
M. Lísal & V. Vacek. (1997) Effective potentials for liquid simulation of the alternative refrigerants HFC-134a (CF3CH2F) and HFC-125 (CF3CHF2). Fluid Phase Equilibria 127:1-2, pages 83-102.
Crossref
C. Kriebel, A. M�ller, M. Mecke, J. Winkelmann & J. Fischer. (1996) Prediction of thermodynamic properties for fluid nitrogen with molecular dynamics simulations. International Journal of Thermophysics 17:6, pages 1349-1363.
Crossref
M. Lombardero, C. Martín, E. Lomba & F. Lado. (1996) Monte Carlo simulation and reference hypernetted chain equation results for structural, thermodynamic, and dielectric properties of polar heteronuclear diatomic fluids. The Journal of Chemical Physics 104:17, pages 6710-6718.
Crossref
Benito Garzón, Santiago Lago & Carlos Vega. (1994) Reaction field simulations of the vapor-liquid equilibria of dipolar fluids. Chemical Physics Letters 231:4-6, pages 366-372.
Crossref
Berthold Saager & Johann Fischer. (1994) Construction and application of physically based equations of state. Fluid Phase Equilibria 93, pages 101-140.
Crossref
P. S. van der Gulik. (1993) The viscosity of the refrigerant 1,1-difluoroethane along the saturation line. International Journal of Thermophysics 14:4, pages 851-864.
Crossref
Berthold Saager & Johann Fischer. (1992) Construction and application of physically based equations of state. Fluid Phase Equilibria 72, pages 67-88.
Crossref
Dominique Levesque & Jean Jacques Weis. 1995. The Monte Carlo Method in Condensed Matter Physics. The Monte Carlo Method in Condensed Matter Physics 121 204 .
Berthold Saager & Johann Fischer. (1991) Prediction of thermodynamic properties for fluid oxygen with MD simulations. Fluid Phase Equilibria 66:1-2, pages 103-111.
Crossref
Carlos Vega & Santiago Lago. (1991) Perturbation theory of angular molecules interacting through the Kihara potential. The Journal of Chemical Physics 94:1, pages 310-320.
Crossref
Carlos Vega & Santiago Lago. (1990) Molecular dynamics study of propane using two simple potential models. The Journal of Chemical Physics 93:11, pages 8171-8179.
Crossref

Reprints and Corporate Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

To request a reprint or corporate permissions for this article, please click on the relevant link below:

Order Reprints Request Corporate Permissions

Academic Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

Obtain permissions instantly via Rightslink by clicking on the button below:

Request Academic Permissions

If you are unable to obtain permissions via Rightslink, please complete and submit this Permissions form. For more information, please visit our Permissions help page.

Related research

People also read lists articles that other readers of this article have read.

Recommended articles lists articles that we recommend and is powered by our AI driven recommendation engine.

Cited by lists all citing articles based on Crossref citations.
Articles with the Crossref icon will open in a new tab.