Isotherms of argon between 0°c and 150°c and pressures up to 2900 atmospheres

Michels, Andreas; Wijker, H.; Wijker, Hk

doi:10.1016/0031-8914(49)90119-6

Cited by 480 publications

(87 citation statements)

References 3 publications

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“…1. We use a Lennard-Jones potential E(r) [45] to include anharmonic interactions in the system: structure is first relaxed in the NPT ensemble for 10 7 steps at 0 bar. The equilibrium distance between atoms, noted a, is equal to 0.382 nm at 10 K. Then, the simulations are done in the NVE ensemble and the velocities are saved every 64 steps during 2 097 152 steps.…”

Section: B Spatial and Temporal Coherence In Anharmonic Materialsmentioning

confidence: 99%

Distinguishing between spatial coherence and temporal coherence of phonons

Latour

Chalopin

2017

Phys. Rev. B

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Coherent phonon transport is regarded as a promising strategy for controlling thermal properties in solids using the wave nature of phonons. However, no clear distinction between the spatial and temporal phonon coherence has been accounted for and a formalism that quantifies these two effects is still to be found. In this work, we propose a statistical approach for calculating the spatial and temporal coherence spectra using molecular dynamics simulations. We provide a microscopic assessment of these properties and we theoretically demonstrate that, while temporal and spatial coherence can be analytically related under specific conditions, they represent two characteristic lengths that set apart different physical effects. The former is associated with the phonon mean free path while the latter can be regarded as a measure of localization, representing the spatial extension of phonon wave packets. This provides a framework to engineer heat conduction in solids by quantitatively revealing the wave/particle nature of the vibrational modes.

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Section: B Spatial and Temporal Coherence In Anharmonic Materialsmentioning

confidence: 99%

Distinguishing between spatial coherence and temporal coherence of phonons

Latour

Chalopin

2017

Phys. Rev. B

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“…33,34 As a combining rule for LJ parameters, the Lorentz-Berthelot mixing rule is applied. We vary the parameters, · u and ¾ u , as follows: either ¾ u is varied so that ¾ u =¾ v ¼ 1:0; 2:0; and 3:0 while fixing …”

Section: Computational Detailsmentioning

confidence: 99%

A Parameterization of Empirical Sigma Enlarging Bridge Correction of Kovalenko-Hirata Closure in Ornstein-Zernike Theory for Lennard-Jones Fluids

Miyata

2017

Bulletin of the Chemical Society of Japan

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We report the parameter values included in the sigma enlarging bridge (SEB) function for two-component LennardJones fluids within the Ornstein-Zernike (OZ) integral equation framework, which was first proposed in our previous study [T. Miyata, Y. Ebato, J. Molec. Liquids, 217 (2016) 75] to improve the accuracy of the solvation free energy (SFE). In this article, we consider a wide range of thermodynamic states, with varying the solute size and the solute-solvent interaction strength. The SEB parameter was evaluated via the least square fitting of the first rising region of the radial distribution function obtained from OZ theory to that from molecular dynamics simulation. The SEB function was applied to both the hypernetted chain (HNC) and Kovalenko-Hirata (KH) closures. It is found that the SEB parameter increases monotonically with the solute size, whereas it hardly depends on the solutesolvent interaction strength. Also, the performance of bare HNC, bare KH, Percus-Yevick, and Verlet-modified closures are also examined, to report the relationship between the solute volume and the error of the SFE obtained from OZ theory. We found that the SFE errors under both HNC and KH closures are not necessarily proportional to the solute volume.

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“…The s tati s tic al un certainty of each value of the co mpressibility factor is no greater th a n one sixth of the over all acc uracy of th e a veraged co mpressibilit y factor. T a ble 2 also includes co mpa rative values of the argo n co mpress ibility factor derived from the piezometer res ults of Mic hels [18] for press ures up to 202.7 bars. The maximum differe nce is s mall, only 0.05 pe rce nt at 202.7 bars; PVT res ults are gene rally conside red to be acc urate if the overall error is less than 0.1 pe rce nt.…”

Section: Compressibility Factor Of Argon At 25°cmentioning

confidence: 99%

A Burnett apparatus for the accurate determination of gas compressibility factors and second virial coefficients, and an evaluation of its capability based on some results for argon and carbon dioxide

Waxman¹,

Hastings²

1971

J. RES. NATL. BUR. STAN. SECT. C. ENG. INSTR.

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A Burn e tt a ppa ratu s has bee n d e ve lu pe d for th e de te rmin a ti u n uf th e cumpress ibilit y fac tu r uf gases, in cludin g c orrus ive ha loge ni c ga ses, to a n acc urac y of 0.1 pe rce nt to 0. 01 pe rce nt at te mpe ra tures fro m 0 to 225°C a nd for press ures up to 250 ba rs. T he a ppa l'a tu s has bee n used thro ughout thi s te mp e ra ture a nd press ure ra nge a nd a t te m pe ratures within 15°C of th e c riti ca l te m pe ra ture of th e s a mpl e gas. T he a ppa ra tu s fea lures a ru gged ye t hi ghl y se ns iti ve a nd re prod ucibl e null-Iype press ure tra nsdu ce r to isula te th e s a mple gas with o ut inlrud uc in g a press ure un ce rt a int y gre a te r th a n th e prec ision of th e pre ss ure m eas ure me nt s, whi c h is be tt e r th a n 1 pa rt in 50 ,000. Th e press ure mea s ure me nt s a re acc ura te to at lea s t I pa rt in 20 ,000. Th e redu cti o n of th e da ta is di sc ussed ex tens ive ly. Th e capa bilit y of th e a pp a ra tu s ha s bee n e valu a ted in te rm s of th e c ompre ss ibilit y fa c tor re prese nted by a finit e press ure or de n sit y vi rial e xpans ion a nd d e rived from a rgo n d a ta a t 25°C a nd press ures up to 250 ba rs and in te r ms of th e secund vi ri a l cue ffi cie nt of ca rbo n di ox id e based on data at 50°C a nd press ures be low 35 ba rs. Th e va lu e ubt ain ed fur thi s s ecu nd viri a l c~e fli c i e nl. -102 .2 ± O .2 c m"/ mol. c om pa res fa vora bl y with th e va lu e uf -102.5 c m"/ mol ob ta in ed fro m a rece nt correla ti on a nd is in s ubsta nti a l di sagree me nt with th e va lu e of -100.7 ± O.4 c m "/ mol d e te rmin e d by Dad so n a nd cu· wo rk e rs fro m th e Burn e ll me th od a nd th e pie zo me te r me th od .Key wo rds : Adso rption, gas on meta l; a rgo n, co mpressibilit y fa c tor of; Burnell data redu c ti on ; carbon di oxid e, seco nd viri a l c oe ffi c ie nt of: co mpress ibility fa c to r; ga s, com p re ss ibilit y fa c to r of; gas , PVT p ru pe rti es ot ; meas ure m e nt s . ga s : se cond vi ri a l c oc Hic ie nl.

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Isotherms of argon between 0°c and 150°c and pressures up to 2900 atmospheres

Cited by 480 publications

References 3 publications

Distinguishing between spatial coherence and temporal coherence of phonons

Distinguishing between spatial coherence and temporal coherence of phonons

A Parameterization of Empirical Sigma Enlarging Bridge Correction of Kovalenko-Hirata Closure in Ornstein-Zernike Theory for Lennard-Jones Fluids

A Burnett apparatus for the accurate determination of gas compressibility factors and second virial coefficients, and an evaluation of its capability based on some results for argon and carbon dioxide

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