Gas-hydrate formation conditions — interactive implementation
Calculator
Compare with experiment
Model & equations
Data & parameters
Feed gas
Guest
z (water-free)
+ add guest
normalise
Water is always present in excess; the composition above is the
guest-rich phase
composition (water-free basis).
Calculation
P at given T
T at given P
Temperature (K)
Hydrate structure
auto — lower equilibrium pressure
structure I
structure II
Calculate
Download results (CSV)
Model options
Kihara size parameter used in the cell potential
σ* = σ (tabulated value used directly)
σ* = σ − 2a
σ* = σ − a
Eq. (6): PRSV2 κ(T)
κ₀ + κ₁(1 + √Tr)(0.7 − Tr) — standard PRSV2
κ₀ + κ₁(1 − √Tr)(0.7 − Tr) — as printed
use Eq. (26) for V
w
β
of sI (revised, high pressure)
ice branch below 273.15 K (extension, H–I–V)
Table 2 (published)
Regressed
Result
Press
Calculate
.
Cage occupancy & Langmuir constants
Fluid phases at equilibrium
Fugacity balance, Eq. (1)
Comparison with experimental data
Hydrate structure on the graph
structure I
structure II
The model curve and AADP use the selected structure only — switch to the other structure and run again to compare them one at a time.
Run comparison
Regress Kihara ε/k & σ* for this gas
Download deviations (CSV)
Download plot (SVG)
model, sI
model, sII
experimental
Point-by-point deviations
AADP = (1/N)·Σ|P
exp
−P
calc
|/P
exp
×100 [Eq. (25)]; AADy uses the same definition with the phase mole fractions [Eq. (24)].
Published accuracy of the model (paper Tables 3 & 5, “this work”)
Experimental data sets (JSON)
Apply changes
Reload defaults
Kihara potential parameters (Table 2)
Binary interaction parameters (Table 1)
PRSV2 pure-component constants