Estimation of 2nd-order derivative thermodynamic properties using the crossover lattice equation of state

Yongjin Lee; Moon Sam Shin; Hwayong Kim

doi:10.1016/j.jct.2008.06.010

Estimation of 2nd-order derivative thermodynamic properties using the crossover lattice equation of state

Yongjin Lee, Moon Sam Shin, Hwayong Kim

Seoul National University

Research output: Contribution to journal › Article › peer-review

7 Scopus citations

Abstract

We apply the crossover lattice equation of state (xLF EOS) [M.S. Shin, Y. Lee, H. Kim, J. Chem. Thermodyn. 40 (2007) 174-179] to the calculations of thermodynamic 2nd-order derivative properties (isochoric heat capacity, isobaric heat capacity, isothermal compressibility, thermal expansion coefficient, Joule-Thompson coefficient, and sound speed). This equation of state is used to calculate the same properties of pure systems (carbon dioxide, normal alkanes from methane to propane). We show that, over a wide range of states, the equation of state yields properties with better accuracy than the lattice equation of state (LF EOS), and near the critical region, represents singular behavior well.

Original language	English
Pages (from-to)	1580-1587
Number of pages	8
Journal	Journal of Chemical Thermodynamics
Volume	40
Issue number	11
DOIs	https://doi.org/10.1016/j.jct.2008.06.010
State	Published - Nov 2008
Externally published	Yes

Bibliographical note

Funding Information:
This work was supported by the BK21 project of Korea Ministry of Education and the National Research Laboratory (NRL) Program of Korea Institute of Science and Technology Evaluation and Planning.

Keywords

Carbon dioxide
Critical state
Crossover
Equation of state
Heat capacity

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10.1016/j.jct.2008.06.010

Cite this

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title = "Estimation of 2nd-order derivative thermodynamic properties using the crossover lattice equation of state",

abstract = "We apply the crossover lattice equation of state (xLF EOS) [M.S. Shin, Y. Lee, H. Kim, J. Chem. Thermodyn. 40 (2007) 174-179] to the calculations of thermodynamic 2nd-order derivative properties (isochoric heat capacity, isobaric heat capacity, isothermal compressibility, thermal expansion coefficient, Joule-Thompson coefficient, and sound speed). This equation of state is used to calculate the same properties of pure systems (carbon dioxide, normal alkanes from methane to propane). We show that, over a wide range of states, the equation of state yields properties with better accuracy than the lattice equation of state (LF EOS), and near the critical region, represents singular behavior well.",

keywords = "Carbon dioxide, Critical state, Crossover, Equation of state, Heat capacity",

author = "Yongjin Lee and Shin, {Moon Sam} and Hwayong Kim",

note = "Funding Information: This work was supported by the BK21 project of Korea Ministry of Education and the National Research Laboratory (NRL) Program of Korea Institute of Science and Technology Evaluation and Planning.",

year = "2008",

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doi = "10.1016/j.jct.2008.06.010",

language = "English",

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T1 - Estimation of 2nd-order derivative thermodynamic properties using the crossover lattice equation of state

AU - Lee, Yongjin

AU - Shin, Moon Sam

AU - Kim, Hwayong

N1 - Funding Information: This work was supported by the BK21 project of Korea Ministry of Education and the National Research Laboratory (NRL) Program of Korea Institute of Science and Technology Evaluation and Planning.

PY - 2008/11

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N2 - We apply the crossover lattice equation of state (xLF EOS) [M.S. Shin, Y. Lee, H. Kim, J. Chem. Thermodyn. 40 (2007) 174-179] to the calculations of thermodynamic 2nd-order derivative properties (isochoric heat capacity, isobaric heat capacity, isothermal compressibility, thermal expansion coefficient, Joule-Thompson coefficient, and sound speed). This equation of state is used to calculate the same properties of pure systems (carbon dioxide, normal alkanes from methane to propane). We show that, over a wide range of states, the equation of state yields properties with better accuracy than the lattice equation of state (LF EOS), and near the critical region, represents singular behavior well.

AB - We apply the crossover lattice equation of state (xLF EOS) [M.S. Shin, Y. Lee, H. Kim, J. Chem. Thermodyn. 40 (2007) 174-179] to the calculations of thermodynamic 2nd-order derivative properties (isochoric heat capacity, isobaric heat capacity, isothermal compressibility, thermal expansion coefficient, Joule-Thompson coefficient, and sound speed). This equation of state is used to calculate the same properties of pure systems (carbon dioxide, normal alkanes from methane to propane). We show that, over a wide range of states, the equation of state yields properties with better accuracy than the lattice equation of state (LF EOS), and near the critical region, represents singular behavior well.

KW - Carbon dioxide

KW - Critical state

KW - Crossover

KW - Equation of state

KW - Heat capacity

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DO - 10.1016/j.jct.2008.06.010

M3 - Article

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SN - 0021-9614

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SP - 1580

EP - 1587

JO - Journal of Chemical Thermodynamics

JF - Journal of Chemical Thermodynamics

IS - 11

ER -

Estimation of 2nd-order derivative thermodynamic properties using the crossover lattice equation of state

Abstract

Bibliographical note

Keywords

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