An atomic contribution model for the prediction of speed of sound

Cunha, Deivisson Lopes; Coutinho, João A. P.; Daridon, Jean-Luc; Reis, Rodrigo A.; Paredes, Márcio L.L.

doi:10.1016/j.fluid.2013.08.014

Cited by 6 publications

(6 citation statements)

References 113 publications

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“…Among these works the recent contributions of Liang et al [28], Cunha et al [40], de Villiers et al [41], and Hayer et al [42] should be noticed. At the same time it should be pointed out that studies reviewing the experimental results for densities [2,3,38,43] and sound velocities [44][45][46] of 1-alkanols indicate that the database for some of them is not less impressive than in the cases of the pertinent n-alkanes.…”

mentioning

confidence: 99%

Estimating the liquid properties of 1-alkanols from C5 to C12 by FT-EoS and CP-PC-SAFT: Simplicity versus complexity

Postnikov

Goncharov

Cohen

et al. 2015

The Journal of Supercritical Fluids

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mentioning

confidence: 99%

Estimating the liquid properties of 1-alkanols from C5 to C12 by FT-EoS and CP-PC-SAFT: Simplicity versus complexity

Postnikov

Goncharov

Cohen

et al. 2015

The Journal of Supercritical Fluids

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“…More recently, Cunha et al [20] proposed a new atomic contribution model to predict speed of sound, the group contribution model, which was listed in Table 1 and calculated by (5) and was replaced by seven atomic compounds: C par (for paraffinic carbon), C Olef (for olefinic carbon), C Arom (for aromatic carbon), H (for hydrogen), O sp3 (for ether oxygen), O sp2 (for ester group, being the COO decomposed into one C Olef , one O sp2 , and one O sp3 ), and O Alc (for alcohol oxygen).…”

Section: The Accuracy Comparison Among Molecular Compressibility Exprmentioning

confidence: 98%

Macroscopic Expressions of Molecular Adiabatic Compressibility of Methyl and Ethyl Caprate under High Pressure and High Temperature

Shi

Zhang

Chen

et al. 2014

Abstract and Applied Analysis

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The molecular compressibility, which is a macroscopic quantity to reveal the microcompressibility by additivity of molecular constitutions, is considered as a fixed value for specific organic liquids. In this study, we introduced two calculated expressions of molecular adiabatic compressibility to demonstrate its pressure and temperature dependency. The first one was developed from Wada’s constant expression based on experimental data of density and sound velocity. Secondly, by introducing the 2D fitting expressions and their partial derivative of pressure and temperature, molecular compressibility dependency was analyzed further, and a 3D fitting expression was obtained from the calculated data of the first one. The third was derived with introducing the pressure and temperature correction factors based on analogy to Lennard-Jones potential function and energy equipartition theorem. In wide range of temperatures(293<T/K<393)and pressures(0.1<P/MPa<210), which represent the typical values used in dynamic injection process for diesel engines, the calculated results consistency of three formulas demonstrated their effectiveness with the maximum 0.5384% OARD; meanwhile, the dependency on pressure and temperature of molecular compressibility was certified.

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“…Both factors contribute to faster pressure development in the injection line and combustion cylinder. Consequently, the fuel should be injected sooner than petro‐diesel (Cunha et al, 2013; Monyem et al, 2001; Payri et al, 2011; Tat et al, 2000). The advance of injection time leads to earlier combustion and could possibly increase the emission of NO x (Tat et al, 2000).…”

Section: Introductionmentioning

confidence: 99%

“…and , Eq. was obtained and could be extended to estimate the speed of sound in several liquids, including FAME and biodiesels (Cunha et al, 2013). However, atomic contributions were used in the calculation for k m and the constant χ was changed from 0.034852 to 0.0191.

u = {(\frac{ρ^{6 / 7}}{italicMW} {false\sum}_{i = 1}^{N} N_{i} k_{m, i} (1 - χ (T - 298.15)))}^{7 / 2}

Although Eq.…”

Section: Introductionmentioning

confidence: 99%

Correlating the Speed of Sound with the Gibbs Energy and Estimating the Speed of Sound in Fatty Acid Methyl Ester and Biodiesel

Cheewaphan

Chuensumran

Phankosol

et al. 2021

J Americ Oil Chem Soc

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The relationship between the speed of sound (u) in biodiesel and the change in Gibbs energy (ΔG) has not been described in the literature. With the Gibbs energy additivity method, the relationship between u and ΔG can be expressed as ln(u2) = ΔG/RT + A, where R is the universal gas constant, T is the absolute temperature, and A is a constant. The molecule of fatty acid methyl ester (FAME) was arbitrarily sub‐divided into groups of atoms and a ΔG was assigned to each group of atoms. A new model correlating the speed of sound to the structure of fatty acid was derived. The proposed model was good for estimation of the speed of sound in both FAME and biodiesel at various temperatures with good accuracy. The absolute average deviations for the speed of sound in FAME (65 data points) and in biodiesel (175 data points) were 0.23% and 0.36%, respectively. Only the number of double bonds and carbon atoms of the fatty acid are required for the calculation.

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An atomic contribution model for the prediction of speed of sound

Cited by 6 publications

References 113 publications

Estimating the liquid properties of 1-alkanols from C5 to C12 by FT-EoS and CP-PC-SAFT: Simplicity versus complexity

Estimating the liquid properties of 1-alkanols from C5 to C12 by FT-EoS and CP-PC-SAFT: Simplicity versus complexity

Macroscopic Expressions of Molecular Adiabatic Compressibility of Methyl and Ethyl Caprate under High Pressure and High Temperature

Correlating the Speed of Sound with the Gibbs Energy and Estimating the Speed of Sound in Fatty Acid Methyl Ester and Biodiesel

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