REAL

Estimation of the Thermodynamic Limit of Overheating for Bulk Water from Interfacial Properties

Imre, Attila R. and Baranyai, András and Deiters, Ulrich K. and Kiss, Péter T. and Kraska, Thomas and Quiñones-Cisneros, Sergio E. (2013) Estimation of the Thermodynamic Limit of Overheating for Bulk Water from Interfacial Properties. International Journal of Thermophysics, 34. pp. 2053-2064. ISSN 0195-928X

[img]
Preview
Text
13imr_bar_public.pdf

Download (485Kb) | Preview

Abstract

The limit of overheating or expanding is an important property of liquids, which is relevant for the design and safety assessment of processes involving pressurized liquids. In this work, the thermodynamic stability limit – the so-called spinodal – of water is calculated by molecular dynamics computer simulation, using the molecular potential model of Baranyai and Kiss. The spinodal pressure is obtained from the maximal tangential pressure within a liquid‒vapor interface layer. The results are compared to predictions of various equations of states. Based on these comparisons, a set of equations of state is identified which gives reliable results in the metastable (overheated or expanded) liquid region of water down to −55 MPa.

Item Type: Article
Subjects: Q Science / természettudomány > QD Chemistry / kémia > QD02 Physical chemistry / fizikai kémia
Depositing User: Dr Attila R. Imre
Date Deposited: 10 Jul 2014 12:08
Last Modified: 10 Jul 2014 12:08
URI: http://real.mtak.hu/id/eprint/13667

Actions (login required)

View Item View Item