Experimental vapor-liquid equilibria in the systems R 22-R 23, R 22-Co2, Cs2-R 22, R 23-Co2, Cs2-R 23 and their correlation by equations of state

Roth, H.; Peters-Gerth, P.; Lucas, Klaus

doi:10.1016/0378-3812(92)85045-a

Cited by 32 publications

(11 citation statements)

References 3 publications

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“…which is completely equivalent to (3). In the absence of interactions w=0, c (1) =0 and (6) reduces to the equation of hydrostatics for a non-interacting fluid in an external potential.…”

Section: Derivation Of the Lmf Equation From Dftmentioning

confidence: 99%

“…More sophisticated versions of FMT fare slightly better at very high packing fractions [1][2][3][4] .…”

Section: Wallmentioning

confidence: 99%

“…Modern density functional theories (DFT) provide a very accurate description of the short ranged oscillatory structure and the surface tension for hardparticle models and in particular for hard-spheres; for recent reviews see Ref. [1][2][3].…”

Section: Introductionmentioning

confidence: 99%

“…The basis of LMF is the idea that there exists a mapping from the full system with pair potential w(r) and external, one-body potential ( ) φ r to a mimic system that is described by a (short-ranged) pair interaction 0 ( ) u r and an effective or restructured external potential R ( ) φ r . The mimic (reference) system, denoted by subscript R, and the actual system are connected by requiring ( (1) i.e. the average one-body density in the full system should be the same as that in system R. R ( ) φ r is to be determined self-consistently.…”

Section: Introductionmentioning

confidence: 99%

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Relationship between local molecular field theory and density functional theory for non-uniform liquids

Archer

Evans

2013

The Journal of Chemical Physics

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The Local Molecular Field Theory (LMF) developed by Weeks and co-workers has proved successful for treating the structure and thermodynamics of a variety of nonuniform liquids. By reformulating LMF in terms of one-body direct correlation functions we recast the theory in the framework of classical Density Functional Theory (DFT). We show that the general LMF equation for the effective reference potential R ( ) φ r follows directly from the standard mean-field DFT treatment of attractive interatomic forces.Using an accurate (Fundamental Measures) DFT for the non-uniform hard-sphere reference fluid we determine R ( ) φ r for a hard-core Yukawa liquid adsorbed at a planar hard wall. In the approach to bulk liquid-gas coexistence we find the effective potentials exhibit rich structure that can include damped oscillations at large distances from the wall as well as the repulsive hump near the wall required to generate the low density 'gas' layer characteristic of complete drying. We argue that it would be difficult to obtain the same level of detail from other (non DFT based) implementations of LMF. LMF emphasizes the importance of making an intelligent division of the interatomic pair potential of the full system into a reference part and a remainder that can be treated in mean-field approximation. We investigate different divisions for an exactly solvable onedimensional model where the pair potential has a hard-core plus a linear attractive tail.Results for the structure factor and the equation of state of the uniform fluid show that including a significant portion of the attraction in the reference system can be much more accurate than treating the full attractive tail in mean-field approximation. We discuss further aspects of the relationship between LMF and DFT.

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“…which is completely equivalent to (3). In the absence of interactions w=0, c (1) =0 and (6) reduces to the equation of hydrostatics for a non-interacting fluid in an external potential.…”

Section: Derivation Of the Lmf Equation From Dftmentioning

confidence: 99%

“…More sophisticated versions of FMT fare slightly better at very high packing fractions [1][2][3][4] .…”

Section: Wallmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Relationship between local molecular field theory and density functional theory for non-uniform liquids

Archer

Evans

2013

The Journal of Chemical Physics

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“…The accuracy would be improved if the experimental pvT data is included in the optimization process. For the CO 2 + R-23 mixture, the VLE correlation was made using the data by Roth et al, (17) which is the only one published experimental data of the mixture. Figure 3 shows the correlation with the simple multi-fluid model.…”

Section: Resultsmentioning

confidence: 99%

Applications of the Simple Multi-Fluid Model to Correlations of the Vapor-Liquid Equilibrium of Refrigerant Mixtures Containing Carbon Dioxide

Akasaka

2009

JTST

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This study presents a simple multi-fluid model for Helmholtz energy equations of state. The model contains only three parameters, whereas rigorous multi-fluid models developed for several industrially important mixtures usually have more than 10 parameters and coefficients. Therefore, the model can be applied to mixtures where experimental data is limited. Vapor-liquid equilibrium (VLE) of the following seven mixtures have been successfully correlated with the model: CO 2 + difluoromethane (R-32), CO 2 + trifluoromethane (R-23), CO 2 + fluoromethane (R-41), CO 2 + 1,1,1,2-tetrafluoroethane (R-134a), CO 2 + pentafluoroethane (R-125), CO 2 + 1,1-difluoroethane (R-152a), and CO 2 + dimethyl ether (DME). The best currently available equations of state for the pure refrigerants were used for the correlations. For all mixtures, average deviations in calculated bubble-point pressures from experimental values are within 2%. The simple multi-fluid model will be helpful for design and simulations of heat pumps and refrigeration systems using the mixtures as working fluid.

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Vapor-Liquid Equilibrium of the Mixture CHF3 + CO2 (LB4020, EVLM 1131)

Wichterle¹,

Linek²,

Wagner³

et al. 2008

Binary Liquid Systems of Nonelectrolytes. Part 2

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Experimental vapor-liquid equilibria in the systems R 22-R 23, R 22-Co2, Cs2-R 22, R 23-Co2, Cs2-R 23 and their correlation by equations of state

Cited by 32 publications

References 3 publications

Relationship between local molecular field theory and density functional theory for non-uniform liquids

Relationship between local molecular field theory and density functional theory for non-uniform liquids

Applications of the Simple Multi-Fluid Model to Correlations of the Vapor-Liquid Equilibrium of Refrigerant Mixtures Containing Carbon Dioxide

Vapor-Liquid Equilibrium of the Mixture CHF3 + CO2 (LB4020, EVLM 1131)

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