Thermodynamic Properties of Octamethylcyclotetrasiloxane
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- 作者：Monika Thol ; Gábor Rutkai ; Andreas Köster ; Frithjof H. Dubberke ; Thorsten Windmann ; Roland Span ; Jadran Vrabec
- 刊名：Journal of Chemical & Engineering Data
- 出版年：2016
- 出版时间：July 14, 2016
- 年：2016
- 卷：61
- 期：7
- 页码：2580-2595
- 全文大小：799K
- 年卷期：0
- ISSN：1520-5134
文摘
An equation of state for octamethylcyclotetrasiloxane is presented. The available experimental data from the literature are supplemented by new measurements on the speed of sound. Furthermore, a new force field is proposed, allowing the generation of a comprehensive thermodynamic data set by means of molecular simulation. Both the experimental and molecular simulation data are applied to develop a fundamental equation of state in terms of the Helmholtz energy. On the basis of the experimental data, the equation of state is valid from the triple-point temperature to T = 590 K for pressures up to p = 180 MPa and can be used to calculate any thermodynamic equilibrium state property. Its accuracy is assessed by a comprehensive analysis of the underlying experimental data. Finally, the range of validity was extended to Tmax = 1200 K and pmax = 520 MPa by means of molecular simulation data.