Prediction of PVT properties for dissociated steam by molecular simulation
✍ Scribed by Keiji Kinoshita; Masahiko Uematsu
- Publisher
- John Wiley and Sons
- Year
- 2000
- Tongue
- English
- Weight
- 205 KB
- Volume
- 29
- Category
- Article
- ISSN
- 1099-2871
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✦ Synopsis
A water molecule is dissociated at high temperatures. The PVT properties of dissociated steam have been calculated with molecular simulation of the general Monte Carlo method using the 1 center LennardJones 12-6 potential model for temperatures from 1000 K to 3000 K at pressures from 0.1 MPa to 300 MPa. The uncertainty in density calculations with NPT ensemble is estimated to be ±1%. Density values of dissociated steam become smaller than those of pure steam with increasing temperature and decreasing pressure. Percentage deviation of density for dissociated steam from density for pure steam at 3000 K and 0.1 MPa is calculated to be 17.1%. Comparison of density between the present calculations and values in thermophysical property tables by Vargaftik is reported.