Articles
A theoretical extension applied to Pure Acids with Long Carbon Chain in Liquid Phase to analyse their behavior in Solid Phase
Moilton Franco Junior- Nattacia Rocha, D.Sc.
- Warley Pereira, D.Sc.
Published 2021-09-29
Keywords
- Volume thermal expansivity,
- Bulk modulus,
- Liquid and solid phases,
- Fatty acids,
- Tait equation
- Vinet equation,
- Birch-Murnagham equation ...More
How to Cite
Franco Junior, M., Rocha, N., & Pereira, W. (2021). A theoretical extension applied to Pure Acids with Long Carbon Chain in Liquid Phase to analyse their behavior in Solid Phase. Revista ION, 34(2), 65–71. https://doi.org/10.18273/revion.v34n2-2021006
Abstract
In this work, Peng-Robinson EOS (equation of state) was chosen to represent liquid phase behavior. Then, regarding the three acids, Lauric, Palmitic and Stearic, bulk modulus coefficients were calculated in three values of pressures (0.1, 1.0 and 2.0 GPa) and a range of temperature of 350-450 K. According to the literature, results for carbon dioxide, bulk modulus in the liquid phase is in the same line for the one in the solid phase considering the temperature dimension. Based on it, in this work, the bulk modulus was estimated at three temperatures for three acids in solid-phase by extrapolating the results in the liquid phase. Despite there are no experimental data available in the literature, these results seem to be consistent with the thermodynamic constraints, and useful discussions were provided.
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References
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[18] Yaws CL. Yaws' Handbook of thermodynamic and physical properties of chemical compounds. Knovel; 2003.
[20] Mao Z, Fan D, Lin JF, Yang J, Tkachev SN, Zhuravlev K, et al. Elasticity of single-crystal olivine at high pressures and temperatures. Earth and Planet. Sci. Letters. 2015;426:204-15.
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[22] Amoozandeh Z, Yousefi F. Application of the Ihm-Song-Mason equation of state and its extension to copolymers using minimum input parameter. HTHP. 2015;44(5):351-67.
[23] Gal J. Cascading crystallographic transitions α→ ω→ β→ β’→ β" and melting curve of elemental zirconium. Physica B: Condensed Matter. 2021;613:412979.
[24] Singh S, Lang L, Dovale-Farelo V, Herath U, Tavazohi P, Coudert FX, et al. MechElastic: A Python Library for Analysis of Mechanical and Elastic Properties of Bulk and 2D Materials. Computer Phys. Comm. 2021;267:108068.
[25] Latimer K, Dwaraknath S, Mathew K, Winston D, Persson KA. Evaluation of thermodynamic equations of state across chemistry and structure in the materials project. npj Computational Materials. 2018;4(1):1-7.
[26] Rault J. The modified van der Waals equation of state. European Phys. J. B. 2019;92(1):1-32.
[2] Devlal K, Khohya K. Analysis of equations of state for metals and rare gas solids. Ind. J. Phys. 2006;80(8):801-5.
[3] Vinet P, Rose JH, Ferrante J, Smith JR. Universal features of the equation of state of solids. J. Phys. 1989;1(11):1941.
[4] Birch F. Elasticity and constitution of the Earth's interior. J. Geo. Res. 1952;57(2):227-86.
[5] Kholiya K. High pressure isothermal equation of state for nanomaterials. Ind. J. Phys. 2013;87(4):339-43.
[6] Suzuki A. Pressure–volume–temperature equation of state of ε–FeOOH to 11 GPa and 700 K. J. Min. Petrol. Sci. 2016;111(6):420-4.
[7] Poling BE, Grens EA, Prausnitz JM. Thermodynamic properties from a cubic equation of state: avoiding trivial roots and spurious derivatives. Ind. Eng. Chem. Process Des. Dev. 1981;20(1):127-30.
[8] Jayanti PC, Venkatarathnam G. Identification of the phase of a substance from the derivatives of pressure, volume and temperature, without prior knowledge of saturation properties: Extension to solid phase. Fluid Pha. Equi. 2016;425:269-77.
[9] Stacey FD. Theory of thermal and elastic properties of the lower mantle and core. Phys. Earth Planet. Int. 1995;89(3-4):219-45.
[10] Kumar S, Sharma SK, Pandey OP. Analysis of thermodynamic properties in the limit of ininite pressure. HTHP. 2015;44(5).
[11] Anderson OL, Isaak DG. The dependence of the Anderson-Grüneisen parameter δT upon compression at extreme conditions. J. Phys. Chem. Solids. 1993;54(2):221-7.
[12] Anderson OL, Anderson OL. Equations of state of solids for geophysics and ceramic science. Estasdos Unidos: Oxford University Press; 1995.
[13] Kholiya K, Chandra J, Verma S. Analysis of Equation of States for the Suitability at High Pressure: MgO as an Example. Sci. World J. 2014.
[14] Júnior MRF, Rocha MAP, Rocha NRDAF, Pereira WA, Merlo NP. Thermal expansivity coefficient (α) and isothermal bulk modulus (KT) obtained for fatty acids in liquid phase to estimate the Anderson-Grüneisen parameter (δT). International J. Chem. Stu. 2018;2(6):1-5.
[15] Heberlein DC, Adams ED, Scott TA. Thermal expansion and isothermal compressibility of solid nitrogen. J. Low Temp. Phys. 1970;2(3):449-63.
[16] Jacobs MHG, Oonk HAJ. A realistic equation of state for solids. The high pressure and high temperature thermodynamic properties of MgO. Calphad. 2000;24(2):133-47.
[17] Kholiya K. High pressure equation of state for nano materials. IJPAP. 2013;51(02):94-7
[18] Yaws CL. Yaws' Handbook of thermodynamic and physical properties of chemical compounds. Knovel; 2003.
[20] Mao Z, Fan D, Lin JF, Yang J, Tkachev SN, Zhuravlev K, et al. Elasticity of single-crystal olivine at high pressures and temperatures. Earth and Planet. Sci. Letters. 2015;426:204-15.
[21] Pandey AK, Rai HK, Pandey BK, Srivastava AP, Singh CK. Validity of High Pressure Isothermal Equation of State for Carbon Nanotubes. Res. J. Phys. 2015;9(1):11-20.
[22] Amoozandeh Z, Yousefi F. Application of the Ihm-Song-Mason equation of state and its extension to copolymers using minimum input parameter. HTHP. 2015;44(5):351-67.
[23] Gal J. Cascading crystallographic transitions α→ ω→ β→ β’→ β" and melting curve of elemental zirconium. Physica B: Condensed Matter. 2021;613:412979.
[24] Singh S, Lang L, Dovale-Farelo V, Herath U, Tavazohi P, Coudert FX, et al. MechElastic: A Python Library for Analysis of Mechanical and Elastic Properties of Bulk and 2D Materials. Computer Phys. Comm. 2021;267:108068.
[25] Latimer K, Dwaraknath S, Mathew K, Winston D, Persson KA. Evaluation of thermodynamic equations of state across chemistry and structure in the materials project. npj Computational Materials. 2018;4(1):1-7.
[26] Rault J. The modified van der Waals equation of state. European Phys. J. B. 2019;92(1):1-32.