YamDB.jl uses a two-layer equation design:
- Equation patterns — generic mathematical functions (this page)
- Paper-name wrappers — functions named after publications that call a pattern with specific coefficients
All patterns are defined in src/equations/patterns.jl and are internal to the package.
| Pattern | Formula |
|---|
constant(val) | $val$ |
linear(T, a, b) | $a + bT$ |
linear_tref(T, a, b, T_{ref}) | $a - b(T - T_{ref})$ |
| Pattern | Formula |
|---|
poly2(T, a, b, c) | $a + bT + cT^2$ |
poly3(T, a, b, c, d) | $a + bT + cT^2 + dT^3$ |
poly4(T, a, b, c, d, e) | $a + bT + cT^2 + dT^3 + eT^4$ |
poly5(T, a, b, c, d, e, f) | $a + bT + cT^2 + dT^3 + eT^4 + fT^5$ |
| Pattern | Formula |
|---|
poly2_tref(T, T_{ref}, a, b, c) | $a + b(T - T_{ref}) + c(T - T_{ref})^2$ |
poly3_tref(T, T_{ref}, a, b, c, d) | $a + b(T - T_{ref}) + c(T - T_{ref})^2 + d(T - T_{ref})^3$ |
| Pattern | Formula |
|---|
poly_tau(T, a) | $\sum_{i=0}^{n} a_i \tau^i$ where $\tau = T/1000$ |
The coefficient vector a can have arbitrary length.
| Pattern | Formula |
|---|
arrhenius(T, A, B, R) | $A \exp(B / RT)$ |
arrhenius_shifted(T, A, B, R, T_0) | $A \exp(B / R(T - T_0))$ |
| Pattern | Formula |
|---|
exp_linear(T, a, b) | $\exp(a + bT)$ |
exp_linear_tref(T, a, b, T_{ref}) | $a \exp(b(T - T_{ref}))$ |
exp_BT_CT2(T, A, B, C) | $A \exp(B/T + C/T^2)$ |
| Pattern | Formula |
|---|
power_exp(T, a, b, c) | $a T^b \exp(c/T)$ |
| Pattern | Formula |
|---|
log_poly(T, a, b, c) | $\exp(a + b \ln T + c/T)$ |
log10_linear(T, a, b) | $10^{-a + b/T}$ |
log10_poly3(T, a, b, c, d) | $a + b \log_{10} T + c (\log_{10} T)^2 + d (\log_{10} T)^3$ |
Temperature-independent polynomials in concentration $C$ (mol%):
| Pattern | Formula |
|---|
conc_poly1(C, a, b) | $a + bC$ |
conc_poly2(C, a, b, c) | $a + bC + cC^2$ |
conc_poly3(C, a, b, c, d) | $a + bC + cC^2 + dC^3$ |
conc_poly4(C, a, b, c, d, e) | $a + bC + cC^2 + dC^3 + eC^4$ |
| Pattern | Formula |
|---|
tc_linear(T, x, a, b, c, d) | $a + bT + cx + dx^2$ |
tc_cross(T, x, a, b, c, d, e) | $a + bT + cx + dx^2 T + exT^2$ |
| Pattern | Formula |
|---|
reciprocal_linear(T, a, T_{ref}) | $1 / (a - T)$ |
molar_volume_to_density(T, a, b, M, T_{ref}) | $M / V_m$ where $V_m = [a(T - T_{ref}) + b] \times 10^{-6}$ |
| Pattern | Formula |
|---|
vapour_pressure_iaea(T, a, b, c, d) | $\exp(a + b/T + c \ln T + dT)$ |
vapour_pressure_kelley(T, A, B, C, R) | $\exp(-\Delta F / RT)$ where $\Delta F = A + BT \log_{10} T - CT$ |
vapour_pressure_iida(T, A, B, C) | $10^{A + B/T + C \log_{10} T}$ |
| Pattern | Formula |
|---|
heat_capacity_polynomial_molar(T, c_{p,0}, a, b, c, M) | $(c_{p,0} + aT + bT^2 + cT^{-2}) / M$ |