|
a
|
H-activity, - |
|
a
1
|
Parameter depending on temperature only in Equation (13) |
| A |
Parameter in Equation (6), J mol−1
|
| B |
Parameter in Equation (6), J mol−1
|
|
b
1
|
Parameter in Equation (4), mol−1 s−1
|
|
E
|
Interaction energy, J mol−1
|
|
F
|
Helmholtz free energy, J mol−1
|
|
f
|
Fugacity, Pa |
|
f
0
|
Reference fugacity, Pa |
|
|
Partial molar Gibbs free energy, J mol−1
|
|
|
Partial molar enthalpy, J mol−1
|
|
ħ
|
Reduced Planck constant, h/2π, J s |
|
|
Langmuirian hydrogen dissociation constant, Pa−0.5
|
|
Ke
|
Equilibrium constant, - |
|
n
|
Number of moles, - |
|
P
|
Pressure, Pa |
|
r1, r2
|
Adsorption and dissolution reactions |
|
R
|
Gas constant, J mol−1 K−1
|
|
|
Partial molar entropy, J mol−1 K−1
|
|
U
|
Internal Energy, J mol−1
|
|
T
|
Temperature, K |
|
V
|
Volume, m3
|
|
Greek Symbols
|
|
φ
|
Fugacity coefficient, - |
|
μ
|
Chemical potential, J mol−1
|
|
μ
0
|
Chemical potential in the infinite dilution condition, J mol−1
|
|
ν
|
Poisson ratio, - |
|
θ
|
Surface coverage, - |
|
ξ
|
H-concentration in the metal lattice, - |
|
ω
|
H-atoms local oscillations frequency, mol−1 J−1 s−2
|
|
ω
0
|
H-atoms local oscillations frequency at zero H-content, mol−1 J−1 s−2
|
|
Subscripts, Superscripts and Abbreviations
|
|
ads
|
Adsorbed phase (on the metal surface) |
|
conf
|
Configurational |
|
osc
|
Oscillatory |
|
el
|
Electronic |
|
g
|
gas phase |
| H |
Referred to Metal–Hydrogen interactions |
| HH |
Referred to Hydrogen–Hydrogen interactions |
|
ov
|
Overall |
| Perm |
Permeate side |
|
sol
|
Solution state (dissolved in the lattice) |
|
Acronyms
|
| BCC |
Body-Centered Cubic |
| BCT |
Body-Centered Triclinic |
| FCC |
Face-Centered Cubic |