Guidelines for publication of equations of state I. Pure fluids (Technical Report)

Deiters, Ulrich K.; Reuck, K. M. de

doi:10.1351/pac199769061237

Cited by 62 publications

(27 citation statements)

References 5 publications

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“…This indicates an inconsistent P-ρ-T relation in the relevant regime. 11,26 More specifically, we believe it demonstrates that improving the fourth-order EOS by only fifth-and sixth-order terms is insufficient in this regime: Indeed, the mth-order virial EOS reproduces experimental EOS data to increasing accuracy with increasing m for ρ < ρ c . 22 This is also true for elevated temperatures and much larger densities.…”

Section: -20mentioning

confidence: 83%

Communication: Ab initio Joule–Thomson inversion data for argon

Wiebke

Senn

Pahl

et al. 2013

The Journal of Chemical Physics

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The Joule–Thomson coefficient μH(P, T) is computed from the virial equation of state up to seventh-order for argon obtained from accurate ab initio data. Higher-order corrections become increasingly more important to fit the low-temperature and low-pressure regime and to avoid the early onset of divergence in the Joule–Thomson inversion curve. Good agreement with experiment is obtained for temperatures T > 250 K. The results also illustrate the limitations of the virial equation in regions close to the critical temperature.

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Section: -20mentioning

confidence: 83%

Communication: Ab initio Joule–Thomson inversion data for argon

Wiebke

Senn

Pahl

et al. 2013

The Journal of Chemical Physics

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“…Negative C r V,m values are usually artifacts. 2 Consequently, Salim and Trebble recommended keeping the size parameter temperature-independent. This avoids the prediction of unphysical values, but either makes equations of state inaccurate at high temperatures or pressures, or it tempts the developers of equations of state to compensate for this deficiency by creating a very complicated attraction term, which usually leads to further problems.…”

Section: Thermodynamic Considerationsmentioning

confidence: 99%

“…(Their definitions are given in the following section.) The curves were later used in the IUPAC "Guidelines for publication of equations of state" [2]; their calculation has become a kind of standard test for so-called reference equations of state.…”

Section: Introductionmentioning

confidence: 99%

Soft Repulsion and the Behavior of Equations of State at High Pressures

Boshkova

Deiters

2010

Int J Thermophys

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The so-called characteristic curves of Brown-the Amagat (Joule inversion), Boyle, and Charles (Joule-Thomson inversion) curves-of hydrogen are calculated with several equations of state. This work demonstrates that not all equations can generate physically reasonable Amagat curves. After inclusion of corrections for soft repulsion (based on the Weeks-Chandler-Andersen perturbation theory) and quantum effects into the simplified perturbed-hard-chain theory (SPHCT) equation of state, this equation is able to not only generate an Amagat curve, but also predict pVT data, residual Gibbs energies, and heat capacities of several gases at and above 100 MPa reasonably well. List of symbolsA Helmholtz energy B 2nd virial coefficient C p Isobaric heat capacity C V Isochoric heat capacity c Chain length parameter of the SPHCT EOS d Apparent hard-sphere diameter d 0 d at zero density H Enthalpy

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“…It is well known that the absolute value of the attractive pressure within a generic vdW-type EOS should decrease with temperature while the attractive pressure itself should remain negative at high temperatures [38]. In other words, the thermal cohesion function should be monotonically descending and asymptotically tend to negative values or zero when the temperature approaches infinity.…”

Section: A Monotonically Descending Thermal Cohesion Functionmentioning

confidence: 99%