thermolib 0.7.7__tar.gz → 0.8.1__tar.gz

{thermolib-0.7.7 → thermolib-0.8.1}/Cargo.lock

@@ -210,7 +210,7 @@ checksum = "61c41af27dd6d1e27b1b16b489db798443478cef1f06a660c96db617ba5de3b1"
 
 [[package]]
 name = "thermolib"
-version = "0.7.7"
+version = "0.8.1"
 dependencies = [
  "anyhow",
  "pyo3",

{thermolib-0.7.7 → thermolib-0.8.1}/Cargo.toml

@@ -1,6 +1,6 @@
 [package]
 name = "thermolib"
-version = "0.7.7"
+version = "0.8.1"
 edition = "2021"
 license = "MIT"
 description = "An open-source library for the calculation of fluid properties"
@@ -19,7 +19,7 @@ features = ["derive"]
 
 [dependencies.pyo3]
 version = "0.22.6"
-features = ["anyhow", "extension-module"]
+features = ["extension-module", "abi3-py39", "anyhow"]
 
 [lib]
 name = "thermolib"

{thermolib-0.7.7 → thermolib-0.8.1}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.3
 Name: thermolib
-Version: 0.7.7
+Version: 0.8.1
 License-File: LICENSE
 Summary: An open-source library for the calculation of fluid properties
 License: MIT
@@ -14,147 +14,62 @@ thermolib
 
 An open-source library for the calculation of fluid properties.
 
-# Vdw
+# Cubic EOS {Vdw, Rk, Srk, Pr}
 
 | Flash Calculation | Get Corresponding Properties |
 | :---: | :---: |
 | `t_flash(Ts)` | `T_s()` <br> `p_s()` <br> `rho_v()` <br> `rho_l()` <br> |
 | `tp_flash(T,p)` | `T()` <br> `p()` <br> `rho()` <br> |
 
-```rust
-use thermolib::Vdw;
-
-let Tc = 430.64; // K
-let pc = 7886600.0; // Pa
-let M = 0.064064; // kg/mol
-let mut SO2 = Vdw::new_fluid(Tc, pc, M);
-let _ = SO2.set_molar_unit();
-
-if let Ok(_) = SO2.t_flash(273.15) {
-    println!("T_s={}", SO2.T_s().unwrap());
-    println!("p_s={}", SO2.p_s().unwrap());
-    println!("rho_v={}", SO2.rho_v().unwrap());
-    println!("rho_l={}", SO2.rho_l().unwrap());
-}
-
-SO2.tp_flash(273.15, 0.1e6);
-println!("T={}", SO2.T().unwrap());
-println!("p={}", SO2.p().unwrap());
-println!("rho={}", SO2.rho().unwrap());
-
-```
-
-```python
-from thermolib import Vdw
-
-Tc = 430.64
-pc = 7886600
-M = 0.064064
-SO2 = Vdw(Tc, pc, M)
-SO2.set_molar_unit()
-
-SO2.t_flash(273.15)
-print("T_s =", SO2.T_s())
-print("p_s =", SO2.p_s())
-print("rho_v =", SO2.rho_v())
-print("rho_l =", SO2.rho_l())
-
-SO2.tp_flash(273.15, 0.1e6)
-print("T =", SO2.T())
-print("p =", SO2.p())
-print("rho =", SO2.rho())
-
-```
-
-# Rk
-
-| Flash Calculation | Get Corresponding Properties |
-| :---: | :---: |
-| `t_flash(Ts)` | `T_s()` <br> `p_s()` <br> `rho_v()` <br> `rho_l()` <br> |
-| `tp_flash(T,p)` | `T()` <br> `p()` <br> `rho()` <br> |
-
-```rust
-use thermolib::Rk;
-
-let Tc = 430.64; // K
-let pc = 7886600.0; // Pa
-let M = 0.064064; // kg/mol
-let mut SO2 = Rk::new_fluid(Tc, pc, M);
-let _ = SO2.set_molar_unit();
-
-```
-
-```python
-from thermolib import Rk
-
-Tc = 430.64
-pc = 7886600
-M = 0.064064
-SO2 = Rk(Tc, pc, M)
-SO2.set_molar_unit()
-
-```
-
-# Srk
-
-| Flash Calculation | Get Corresponding Properties |
-| :---: | :---: |
-| `t_flash(Ts)` | `T_s()` <br> `p_s()` <br> `rho_v()` <br> `rho_l()` <br> |
-| `tp_flash(T,p)` | `T()` <br> `p()` <br> `rho()` <br> |
+## Flash Calculation
 
 ```rust
-use thermolib::Srk;
-
-let Tc = 430.64; // K
-let pc = 7886600.0; // Pa
-let omega = 0.256;
-let M = 0.064064; // kg/mol
-let mut SO2 = Srk::new_fluid(Tc, pc, omega, M);
-let _ = SO2.set_molar_unit();
-
+use thermolib::{Vdw, Rk, Srk, Pr};
+let crit_t = 430.64; // critical temperature of sulfur dioxide // K
+let crit_p = 7886600.0; // critical pressure of sulfur dioxide // Pa
+let acentric_factor = 0.256;
+let mut fluid_vdw = Vdw::new_fluid(crit_t, crit_p);
+let mut fluid_rk = Rk::new_fluid(crit_t, crit_p);
+let mut fluid_srk = Srk::new_fluid(crit_t, crit_p, acentric_factor);
+let mut fluid_pr = Pr::new_fluid(crit_t, crit_p, acentric_factor);
 ```
 
 ```python
-from thermolib import Srk
-
-Tc = 430.64
-pc = 7886600
-omega = 0.256
-M = 0.064064
-SO2 = Srk(Tc, Pc, omega, M)
-SO2.set_molar_unit()
-
+from thermolib import Vdw, Rk, Srk, Pr
+TC = 430.64
+PC = 7886600
+OMEGA = 0.256
+fluid_vdw = Vdw(TC, PC)
+fluid_rk = Rk(TC, PC)
+fluid_srk = Srk(TC, PC, OMEGA)
+fluid_pr = Pr(TC, PC, OMEGA)
 ```
 
-# Pr
-
-| Flash Calculation | Get Corresponding Properties |
-| :---: | :---: |
-| `t_flash(Ts)` | `T_s()` <br> `p_s()` <br> `rho_v()` <br> `rho_l()` <br> |
-| `tp_flash(T,p)` | `T()` <br> `p()` <br> `rho()` <br> |
+## Get Corresponding Properties
 
 ```rust
-use thermolib::Pr;
-
-let Tc = 430.64; // K
-let pc = 7886600.0; // Pa
-let omega = 0.256;
-let M = 0.064064; // kg/mol
-let mut SO2 = Pr::new_fluid(Tc, pc, omega, M);
-let _ = SO2.set_molar_unit();
-
+if let Ok(_) = fluid.t_flash(273.15) {
+    println!("T_s={}", fluid.T_s().unwrap());
+    println!("p_s={}", fluid.p_s().unwrap());
+    println!("rho_v={}", fluid.rho_v().unwrap());
+    println!("rho_l={}", fluid.rho_l().unwrap());
+}
+fluid.tp_flash(273.15, 0.1e6);
+println!("T={}", fluid.T().unwrap());
+println!("p={}", fluid.p().unwrap());
+println!("rho={}", fluid.rho().unwrap());
 ```
 
 ```python
-from thermolib import Pr
-
-Tc = 430.64
-pc = 7886600
-omega = 0.256
-M = 0.064064
-SO2 = Pr(Tc, Pc, omega, M)
-SO2.set_molar_unit()
-
+fluid.t_flash(273.15)
+print("T_s =", fluid.T_s())
+print("p_s =", fluid.p_s())
+print("rho_v =", fluid.rho_v())
+print("rho_l =", fluid.rho_l())
+SO2.tp_flash(273.15, 0.1e6)
+print("T =", fluid.T())
+print("p =", fluid.p())
+print("rho =", fluid.rho())
 ```
 
 # Helmholtz

{thermolib-0.7.7 → thermolib-0.8.1}/README.md

@@ -4,147 +4,62 @@ thermolib
 
 An open-source library for the calculation of fluid properties.
 
-# Vdw
+# Cubic EOS {Vdw, Rk, Srk, Pr}
 
 | Flash Calculation | Get Corresponding Properties |
 | :---: | :---: |
 | `t_flash(Ts)` | `T_s()` <br> `p_s()` <br> `rho_v()` <br> `rho_l()` <br> |
 | `tp_flash(T,p)` | `T()` <br> `p()` <br> `rho()` <br> |
 
-```rust
-use thermolib::Vdw;
-
-let Tc = 430.64; // K
-let pc = 7886600.0; // Pa
-let M = 0.064064; // kg/mol
-let mut SO2 = Vdw::new_fluid(Tc, pc, M);
-let _ = SO2.set_molar_unit();
-
-if let Ok(_) = SO2.t_flash(273.15) {
-    println!("T_s={}", SO2.T_s().unwrap());
-    println!("p_s={}", SO2.p_s().unwrap());
-    println!("rho_v={}", SO2.rho_v().unwrap());
-    println!("rho_l={}", SO2.rho_l().unwrap());
-}
-
-SO2.tp_flash(273.15, 0.1e6);
-println!("T={}", SO2.T().unwrap());
-println!("p={}", SO2.p().unwrap());
-println!("rho={}", SO2.rho().unwrap());
-
-```
-
-```python
-from thermolib import Vdw
-
-Tc = 430.64
-pc = 7886600
-M = 0.064064
-SO2 = Vdw(Tc, pc, M)
-SO2.set_molar_unit()
-
-SO2.t_flash(273.15)
-print("T_s =", SO2.T_s())
-print("p_s =", SO2.p_s())
-print("rho_v =", SO2.rho_v())
-print("rho_l =", SO2.rho_l())
-
-SO2.tp_flash(273.15, 0.1e6)
-print("T =", SO2.T())
-print("p =", SO2.p())
-print("rho =", SO2.rho())
-
-```
-
-# Rk
-
-| Flash Calculation | Get Corresponding Properties |
-| :---: | :---: |
-| `t_flash(Ts)` | `T_s()` <br> `p_s()` <br> `rho_v()` <br> `rho_l()` <br> |
-| `tp_flash(T,p)` | `T()` <br> `p()` <br> `rho()` <br> |
-
-```rust
-use thermolib::Rk;
-
-let Tc = 430.64; // K
-let pc = 7886600.0; // Pa
-let M = 0.064064; // kg/mol
-let mut SO2 = Rk::new_fluid(Tc, pc, M);
-let _ = SO2.set_molar_unit();
-
-```
-
-```python
-from thermolib import Rk
-
-Tc = 430.64
-pc = 7886600
-M = 0.064064
-SO2 = Rk(Tc, pc, M)
-SO2.set_molar_unit()
-
-```
-
-# Srk
-
-| Flash Calculation | Get Corresponding Properties |
-| :---: | :---: |
-| `t_flash(Ts)` | `T_s()` <br> `p_s()` <br> `rho_v()` <br> `rho_l()` <br> |
-| `tp_flash(T,p)` | `T()` <br> `p()` <br> `rho()` <br> |
+## Flash Calculation
 
 ```rust
-use thermolib::Srk;
-
-let Tc = 430.64; // K
-let pc = 7886600.0; // Pa
-let omega = 0.256;
-let M = 0.064064; // kg/mol
-let mut SO2 = Srk::new_fluid(Tc, pc, omega, M);
-let _ = SO2.set_molar_unit();
-
+use thermolib::{Vdw, Rk, Srk, Pr};
+let crit_t = 430.64; // critical temperature of sulfur dioxide // K
+let crit_p = 7886600.0; // critical pressure of sulfur dioxide // Pa
+let acentric_factor = 0.256;
+let mut fluid_vdw = Vdw::new_fluid(crit_t, crit_p);
+let mut fluid_rk = Rk::new_fluid(crit_t, crit_p);
+let mut fluid_srk = Srk::new_fluid(crit_t, crit_p, acentric_factor);
+let mut fluid_pr = Pr::new_fluid(crit_t, crit_p, acentric_factor);
 ```
 
 ```python
-from thermolib import Srk
-
-Tc = 430.64
-pc = 7886600
-omega = 0.256
-M = 0.064064
-SO2 = Srk(Tc, Pc, omega, M)
-SO2.set_molar_unit()
-
+from thermolib import Vdw, Rk, Srk, Pr
+TC = 430.64
+PC = 7886600
+OMEGA = 0.256
+fluid_vdw = Vdw(TC, PC)
+fluid_rk = Rk(TC, PC)
+fluid_srk = Srk(TC, PC, OMEGA)
+fluid_pr = Pr(TC, PC, OMEGA)
 ```
 
-# Pr
-
-| Flash Calculation | Get Corresponding Properties |
-| :---: | :---: |
-| `t_flash(Ts)` | `T_s()` <br> `p_s()` <br> `rho_v()` <br> `rho_l()` <br> |
-| `tp_flash(T,p)` | `T()` <br> `p()` <br> `rho()` <br> |
+## Get Corresponding Properties
 
 ```rust
-use thermolib::Pr;
-
-let Tc = 430.64; // K
-let pc = 7886600.0; // Pa
-let omega = 0.256;
-let M = 0.064064; // kg/mol
-let mut SO2 = Pr::new_fluid(Tc, pc, omega, M);
-let _ = SO2.set_molar_unit();
-
+if let Ok(_) = fluid.t_flash(273.15) {
+    println!("T_s={}", fluid.T_s().unwrap());
+    println!("p_s={}", fluid.p_s().unwrap());
+    println!("rho_v={}", fluid.rho_v().unwrap());
+    println!("rho_l={}", fluid.rho_l().unwrap());
+}
+fluid.tp_flash(273.15, 0.1e6);
+println!("T={}", fluid.T().unwrap());
+println!("p={}", fluid.p().unwrap());
+println!("rho={}", fluid.rho().unwrap());
 ```
 
 ```python
-from thermolib import Pr
-
-Tc = 430.64
-pc = 7886600
-omega = 0.256
-M = 0.064064
-SO2 = Pr(Tc, Pc, omega, M)
-SO2.set_molar_unit()
-
+fluid.t_flash(273.15)
+print("T_s =", fluid.T_s())
+print("p_s =", fluid.p_s())
+print("rho_v =", fluid.rho_v())
+print("rho_l =", fluid.rho_l())
+SO2.tp_flash(273.15, 0.1e6)
+print("T =", fluid.T())
+print("p =", fluid.p())
+print("rho =", fluid.rho())
 ```
 
 # Helmholtz

{thermolib-0.7.7/tests → thermolib-0.8.1/scripts}/plot_ceos.py

@@ -1,40 +1,31 @@
-"""
-plot ceos
-"""
+"""plot ceos"""
 
 import math
 import numpy as np
 import matplotlib.pyplot as plt
+from thermolib import hello, Vdw, Rk, Srk, Pr  # pylint: disable=no-name-in-module
 
-# pylint: disable=E
-from thermolib import hello, Vdw, Rk, Srk, Pr
 
 print("test_hello:", hello())
 
+
 TC = 430.64
 PC = 7886600
 OMEGA = 0.256
-M = 0.064064
-
-vdw = Vdw(TC, PC, M)
-vdw.set_mass_unit()
-
-rk = Rk(TC, PC, M)
-rk.set_mass_unit()
-
-srk = Srk(TC, PC, OMEGA, M)
-srk.set_mass_unit()
+vdw = Vdw(TC, PC)
+rk = Rk(TC, PC)
+srk = Srk(TC, PC, OMEGA)
+pr = Pr(TC, PC, OMEGA)
 
-pr = Pr(TC, PC, OMEGA, M)
-pr.set_mass_unit()
 
 fig, (ax1, ax2) = plt.subplots(2, 1)
 
+
 t_s = []
 p_s = []
 rho_v = []
 rho_l = []
-for T in range(math.floor(0.7 * TC), math.ceil(TC)):
+for T in range(math.floor(0.6 * TC), math.ceil(TC)):
     vdw.t_flash(T)
     t_s.append(vdw.T_s())
     p_s.append(vdw.p_s())
@@ -44,16 +35,16 @@ t_s = np.array(t_s)
 p_s = np.array(p_s)
 rho_v = np.array(rho_v)
 rho_l = np.array(rho_l)
+ax1.plot(t_s, p_s, color="r", label="Vdw")
+ax2.plot(rho_v, p_s, color="r", label="Vdw")
+ax2.plot(rho_l, p_s, color="r")
 
-ax1.plot(t_s, p_s, color="red", label="Vdw")
-ax2.plot(rho_v, p_s, color="red", label="Vdw")
-ax2.plot(rho_l, p_s, color="red")
 
 t_s = []
 p_s = []
 rho_v = []
 rho_l = []
-for T in range(math.floor(0.7 * TC), math.ceil(TC)):
+for T in range(math.floor(0.6 * TC), math.ceil(TC)):
     rk.t_flash(T)
     t_s.append(rk.T_s())
     p_s.append(rk.p_s())
@@ -63,16 +54,16 @@ t_s = np.array(t_s)
 p_s = np.array(p_s)
 rho_v = np.array(rho_v)
 rho_l = np.array(rho_l)
+ax1.plot(t_s, p_s, color="g", label="Rk")
+ax2.plot(rho_v, p_s, color="g", label="Rk")
+ax2.plot(rho_l, p_s, color="g")
 
-ax1.plot(t_s, p_s, color="yellow", label="Rk")
-ax2.plot(rho_v, p_s, color="yellow", label="Rk")
-ax2.plot(rho_l, p_s, color="yellow")
 
 t_s = []
 p_s = []
 rho_v = []
 rho_l = []
-for T in range(math.floor(0.7 * TC), math.ceil(TC)):
+for T in range(math.floor(0.6 * TC), math.ceil(TC)):
     srk.t_flash(T)
     t_s.append(srk.T_s())
     p_s.append(srk.p_s())
@@ -82,16 +73,16 @@ t_s = np.array(t_s)
 p_s = np.array(p_s)
 rho_v = np.array(rho_v)
 rho_l = np.array(rho_l)
+ax1.plot(t_s, p_s, color="b", label="Srk")
+ax2.plot(rho_v, p_s, color="b", label="Srk")
+ax2.plot(rho_l, p_s, color="b")
 
-ax1.plot(t_s, p_s, color="blue", label="Srk")
-ax2.plot(rho_v, p_s, color="blue", label="Srk")
-ax2.plot(rho_l, p_s, color="blue")
 
 t_s = []
 p_s = []
 rho_v = []
 rho_l = []
-for T in range(math.floor(0.7 * TC), math.ceil(TC)):
+for T in range(math.floor(0.6 * TC), math.ceil(TC)):
     pr.t_flash(T)
     t_s.append(pr.T_s())
     p_s.append(pr.p_s())
@@ -101,19 +92,18 @@ t_s = np.array(t_s)
 p_s = np.array(p_s)
 rho_v = np.array(rho_v)
 rho_l = np.array(rho_l)
+ax1.plot(t_s, p_s, color="y", label="Pr")
+ax2.plot(rho_v, p_s, color="y", label="Pr")
+ax2.plot(rho_l, p_s, color="y")
 
-ax1.plot(t_s, p_s, color="green", label="Pr")
-ax2.plot(rho_v, p_s, color="green", label="Pr")
-ax2.plot(rho_l, p_s, color="green")
 
 ax1.set_xlabel("temperature K")
 ax1.set_ylabel("pressure Pa")
 ax1.legend()
-
-ax2.set_xlabel("density kg/m3")
+ax2.set_xlabel("density mol/m3")
 ax2.set_ylabel("pressure Pa")
 ax2.legend()
 
-plt.tight_layout()
 
+plt.tight_layout()
 plt.show()

{thermolib-0.7.7 → thermolib-0.8.1}/src/algorithms.rs

@@ -97,6 +97,34 @@ where
     }
     fx[N_DIM - 1][N_DIM - 1]
 }
+/// shengjin
+#[allow(non_snake_case)]
+pub fn shengjin_roots(b: f64, c: f64, d: f64) -> (f64, f64) {
+    let A = b.powi(2) - 3.0 * c;
+    let B = b * c - 9.0 * d;
+    let C = c.powi(2) - 3.0 * b * d;
+    let Delta = B.powi(2) - 4.0 * A * C;
+    if Delta.is_sign_positive() {
+        let Y1 = A * b + 1.5 * (-B + Delta.sqrt());
+        let Y2 = A * b + 1.5 * (-B - Delta.sqrt());
+        ((-b - (Y1.cbrt() + Y2.cbrt())) / 3.0, 0.0)
+    } else {
+        let SQRT_A = A.sqrt();
+        let SQRT_3 = 3_f64.sqrt();
+        let theta3 = ((2.0 * A * b - 3.0 * B) / (2.0 * A * SQRT_A)).acos() / 3.0;
+        let theta3cos = theta3.cos();
+        let x1 = (-b - 2.0 * SQRT_A * theta3cos) / 3.0;
+        let x2 = (-b + SQRT_A * (theta3cos + SQRT_3 * theta3.sin())) / 3.0;
+        let x3 = (-b + SQRT_A * (theta3cos - SQRT_3 * theta3.sin())) / 3.0;
+        let Zv = x1.max(x2).max(x3);
+        let Zl = x1.min(x2).min(x3);
+        if Zl.is_sign_positive() {
+            (Zv, Zl)
+        } else {
+            (Zv, 0.0)
+        }
+    }
+}
 /// unit test
 #[cfg(test)]
 mod tests {

thermolib-0.8.1/src/ideal_gas.rs

@@ -0,0 +1,52 @@
+use crate::f64consts::{C, FRAC_H_K, R};
+#[cfg(feature = "with_pyo3")]
+use pyo3::{pyclass, pymethods};
+#[cfg_attr(feature = "with_pyo3", pyclass)]
+pub struct IdealGas {
+    c: f64,
+    v: Vec<f64>,
+}
+impl IdealGas {
+    pub fn new_fluid() -> Self {
+        Self {
+            c: 1.5, // Translation contribution = 1.5
+            v: Vec::new(),
+        }
+    }
+}
+#[cfg_attr(feature = "with_pyo3", pymethods)]
+#[allow(non_snake_case)]
+impl IdealGas {
+    #[cfg(feature = "with_pyo3")]
+    #[new]
+    pub fn new_py() -> Self {
+        Self::new_fluid()
+    }
+    pub fn set_linear_molecule(&mut self) {
+        // Translation contribution = 1.5
+        // Rotation contribution = 1.0
+        self.c = 2.5;
+    }
+    pub fn set_nonlinear_molecule(&mut self) {
+        // Translation contribution = 1.5
+        // Rotation contribution = 1.5
+        self.c = 3.0;
+    }
+    pub fn set_wave_length(&mut self, waves: Vec<f64>) {
+        self.v = waves.iter().map(|wave| C * wave * 100.0).collect();
+    }
+    pub fn calc_cv(&self, T: f64) -> f64 {
+        R * (self.c
+            + self
+                .v
+                .iter()
+                .map(|vi| {
+                    let temp = -FRAC_H_K * vi / T;
+                    temp.exp() * (temp / temp.exp_m1()).powi(2)
+                })
+                .sum::<f64>())
+    }
+    pub fn calc_cp(&self, T: f64) -> f64 {
+        self.calc_cv(T) + R
+    }
+}

thermolib-0.8.1/src/lib.rs

@@ -0,0 +1,55 @@
+//!
+//! thermolib
+//! =========
+//!
+//! An open-source library for
+//! the calculation of fluid properties.
+//!
+//!
+/// algorithms
+mod algorithms;
+/// Python wrappers
+#[cfg(feature = "with_pyo3")]
+mod python;
+/// Vdw EOS
+mod vdw;
+pub use vdw::Vdw;
+/// Rk EOS
+mod rk;
+pub use rk::Rk;
+/// Srk EOS
+mod srk;
+pub use srk::Srk;
+/// Pr EOS
+mod pr;
+pub use pr::Pr;
+mod pr_mix;
+pub use pr_mix::PrMix;
+/// Helmholtz EOS
+mod helmholtz;
+pub use helmholtz::Helmholtz;
+/// liquid metals
+mod liquid_metal;
+pub use liquid_metal::LiquidMetal;
+/// PC-SAFT EOS
+mod pc_saft;
+pub use pc_saft::PcSaftGlyPure;
+pub use pc_saft::PcSaftMix;
+pub use pc_saft::PcSaftPure;
+pub use pc_saft::PcSaftYglPure;
+/// Ideal Gas
+mod ideal_gas;
+pub use ideal_gas::IdealGas;
+/// Fundamental Constants
+mod f64consts {
+    pub use std::f64::consts::{FRAC_PI_2, FRAC_PI_6, PI, SQRT_2};
+    pub const SQRT2ADD1: f64 = SQRT_2 + 1.0;
+    pub const SQRT2SUB1: f64 = SQRT_2 - 1.0;
+    pub const C: f64 = 299792458.0; // CODATA2018 (speed of light in vacuum) m s^-1
+    pub const H: f64 = 6.62607015E-34; // CODATA2018 (Planck constant) J Hz^-1
+    pub const K: f64 = 1.380649e-23; // CODATA2018 (Boltzmann constant) J K^-1
+    pub const FRAC_H_K: f64 = H / K; // K / Hz
+    pub const NA: f64 = 6.02214076E23; // CODATA2018 (Avogadro constant) mol^-1
+    pub const FRAC_NA_1E30: f64 = NA / 1E30; // const FRAC_NA_1E30: f64 = 6.02214076E-7;
+    pub const R: f64 = 8.314462618; // CODATA2018 (molar gas constant) J mol^-1 K^-1
+}