SHASTA Code Comparison Study
PVT Calculations
Description: Pressure-Volume-Temperature calculations are including in the study in order to readily compare the fluid properties of hydrogen containing
gases (including pure hydrogen) between the participating codes. While these are not simulations themselves, evaluating density and viscosity at various
pressures and temperatures based on the equations of state and viscosity relationships employed by the various models will elucidate important discrepancies
and may help explain differences in model behavior in the one- and three-dimensional simulations.
Here, we have defined one set of density calculations and two sets of viscosity calculations, using various gas compositions (blends of hydrogen and
methane), pressures, and temperatures. In each case, the reported result should be based on the gaseous phase. Results throughout the code comparison study
should be reported in SI units.
SHASTA Code Comparison Study
PVT Calculations: Density
Table 1. Density calculations.
Pressure Temperatures Compositions
Range
1 − 30 𝑀𝑃𝑎 300 𝐾, 325 𝐾, 340 𝐾, 50% 𝐻2 − 50% 𝐶𝐻4
350 𝐾, 380 𝐾
Figure 1. Gas phase density as calculated by GEOS of 50% H2 – 50% CH4 Figure 2. Gas phase density as calculated by GEOS of 50% H2 – 50% CH4
blend at pressure ranging from 1 to 30 MPa for three temperatures: 300K, 340 blend at pressure ranging from 1 to 30 MPa for two temperatures: 325K and
K, and 380 K. Results from the GERG2008 model (Kunz et al. 2012) shown in 350 K. Experimental observations from Hernández-Gómez et al. (2018) shown
black circles. in black circles.
SHASTA Code Comparison Study
PVT Calculations: Viscosity Set A
Table 2. Viscosity calculations, set A.
Pressure Temperatures Compositions1
1 𝑎𝑡𝑚 = 101325 𝑃𝑎 293.15 𝐾, 313.5 𝐾, 0% 𝐻2 − 100% 𝐶𝐻4 to
333.15 𝐾 100% 𝐻2 − 0% 𝐶𝐻4
Figure 3. Gas phase viscosity as calculated by GEOS at atmospheric pressure
and various gas phase compositions for three temperatures: 293.15 K, 313.15
K, and 333.15 K. Experimental observations from Kobayashi et al. (2007)
shown in black circles.
1 The gas composition should be changed gradually within this range in increments of 5%.
SHASTA Code Comparison Study
PVT Calculations: Viscosity Set B
Table 3. Viscosity calculations, set B.
Pressure Range Temperature Compositions
1 − 30 𝑀𝑃𝑎 273.15 𝐾 100% 𝐻2 − 0% 𝐶𝐻4
80% 𝐻2 − 20% 𝐶𝐻4
50% 𝐻2 − 50% 𝐶𝐻4
20% 𝐻2 − 80% 𝐶𝐻4
0% 𝐻2 − 100% 𝐶𝐻4
Figure 4. Gas phase viscosity as calculated by GEOS for pressure between 1
and 30 MPa and a temperature of 293.15 K. Experimental observations from
Chuang et al. (1976) shown with black circles and NIST (2022) shown with
black crosses.
SHASTA Code Comparison Study
PVT Calculations
References:
Chuang, S. Y., Chappelear, P. S., & Kobayashi, R. (1976). Viscosity of methane, hydrogen, and four mixtures of
methane and hydrogen from-100. degree. C to 0. degree. C at high pressures. Journal of Chemical and Engineering
Data, 21(4).
Hernández-Gómez, R., Tuma, D., Pérez, E., & Chamorro, C. R. (2018). Accurate experimental (p, ρ, and T) data for
the introduction of hydrogen into the natural gas grid (II): thermodynamic characterization of the methane–hydrogen
binary system from 240 to 350 K and pressures up to 20 MPa. Journal of Chemical & Engineering Data, 63(5).
Kobayashi, Y., Kurokawa, A., & Hirata, M. (2007). Viscosity measurement of hydrogen-methane mixed gas for
future energy systems. Journal of Thermal Science and Technology, 2(2).
Kunz, O., & Wagner, W. (2012). The GERG-2008 wide-range equation of state for natural gases and other mixtures:
an expansion of GERG-2004. Journal of chemical & engineering data, 57(11).
National Institute of Standards and Technology (2022). Thermophysical properties of fluid systems, accessed on
2023/02/01. URL [Link]