Adding Carbon Dioxide fluid properties

docs/CMakeLists.txt

@@ -34,7 +34,6 @@ if(DOXYGEN_FOUND)
         air_err_u.png
         air_err_w.png
     )
-    file(GLOB_RECURSE RST_FILES ${PROJECT_SOURCE_DIR}/docs/*.rst)
     set(HE_ERR_IMGS
         he_err_c_p.png
         he_err_c_v.png
@@ -46,6 +45,17 @@ if(DOXYGEN_FOUND)
         he_err_u.png
         he_err_w.png
     )
+    set(CO2_ERR_IMGS
+        co2_err_c_p.png
+        co2_err_c_v.png
+        co2_err_h.png
+        co2_err_k.png
+        co2_err_mu.png
+        co2_err_rho.png
+        co2_err_s.png
+        co2_err_u.png
+        co2_err_w.png
+    )
 
     add_custom_command(
         OUTPUT
@@ -59,6 +69,7 @@ if(DOXYGEN_FOUND)
             ${N2_ERR_IMGS}
             ${AIR_ERR_IMGS}
             ${HE_ERR_IMGS}
+            ${CO2_ERR_IMGS}
     )
 
     add_custom_command(
@@ -110,6 +121,19 @@ if(DOXYGEN_FOUND)
             ${PROJECT_SOURCE_DIR}/docs/pyplots/he.yml
     )
 
+    add_custom_command(
+        OUTPUT
+            ${CO2_ERR_IMGS}
+        COMMAND
+            ${CMAKE_COMMAND} -E env "PYTHONPATH=${PROJECT_BINARY_DIR}/python/src:$ENV{PYTHONPATH}"
+            python3 plot_err.py co2.yml
+        WORKING_DIRECTORY
+            ${PROJECT_SOURCE_DIR}/docs/pyplots
+        DEPENDS
+            ${PROJECT_SOURCE_DIR}/docs/pyplots/plot_err.py
+            ${PROJECT_SOURCE_DIR}/docs/pyplots/co2.yml
+    )
+
     add_custom_command(
         TARGET doc
         POST_BUILD

docs/classes/carbon-dioxide.rst

@@ -0,0 +1,5 @@
+Carbon Dioxide
+==============
+
+.. doxygenclass:: fprops::CarbonDioxide
+   :members:

docs/fluids/carbon-dioxide.rst

@@ -0,0 +1,32 @@
+Carbon Dioxide
+==============
+
+Range of validity:
+
+- Temperature: `216.592 - 1100 K`
+- Pressure: to `800 MPa`
+
+Computation of thermodynamic properties is based on :cite:t:`10.1063/1.555991`.
+Viscosity is based on :cite:t:`10.1063/1.556013` and
+thermal conductivity is based on :cite:t:`10.1063/1.2213631`.
+
+Verification against CoolProp package
+-------------------------------------
+
+.. image:: ../pyplots/co2_err_rho.png
+
+.. image:: ../pyplots/co2_err_u.png
+
+.. image:: ../pyplots/co2_err_h.png
+
+.. image:: ../pyplots/co2_err_s.png
+
+.. image:: ../pyplots/co2_err_w.png
+
+.. image:: ../pyplots/co2_err_c_p.png
+
+.. image:: ../pyplots/co2_err_c_v.png
+
+.. image:: ../pyplots/co2_err_mu.png
+
+.. image:: ../pyplots/co2_err_k.png

docs/pyplots/co2.yml

@@ -0,0 +1,17 @@
+fprops:
+  name: co2
+  coolprop: CO2
+  fprops: CarbonDioxide
+  p: [
+    0.1, 0.2,
+    0.5, 1, 1.5, 2, 2.5, 3, 3.5, 4,
+    5, 6, 8,
+    10, 15, 20, 25,
+    50, 75, 100,
+    200, 400, 600, 800
+  ]
+  T: [
+    220, 230, 240, 250, 260, 270, 280, 290, 300, 310, 320, 330, 340, 350,
+    400, 450, 500, 550,
+    600, 700, 800, 900, 1000, 1100
+  ]

docs/references.bib

@@ -57,3 +57,43 @@ @techreport{arp1989thermophysical
   year={1989},
   institution={}
 }
+
+@article{10.1063/1.555991,
+    year = {1996},
+    keywords = {CO2},
+    title = {{A New Equation of State for Carbon Dioxide Covering the Fluid Region from the Triple‐Point Temperature to 1100 K at Pressures up to 800 MPa}},
+    author = {Span, Roland and Wagner, Wolfgang},
+    journal = {Journal of Physical and Chemical Reference Data},
+    issn = {0047-2689},
+    doi = {10.1063/1.555991},
+    pages = {1509--1596},
+    number = {6},
+    volume = {25},
+}
+
+@article{10.1063/1.556013,
+    year = {1998},
+    keywords = {CO2},
+    title = {{The Viscosity of Carbon Dioxide}},
+    author = {Fenghour, A and Wakeham, William A and Vesovic, V},
+    journal = {Journal of Physical and Chemical Reference Data},
+    issn = {0047-2689},
+    doi = {10.1063/1.556013},
+    pages = {31--44},
+    number = {1},
+    volume = {27},
+}
+
+@article{10.1063/1.2213631,
+    year = {2006},
+    keywords = {CO2},
+    title = {{A Reference Multiparameter Thermal Conductivity Equation for Carbon Dioxide with an Optimized Functional Form}},
+    author = {Scalabrin, G. and Marchi, P. and Finezzo, F. and Span, R.},
+    journal = {Journal of Physical and Chemical Reference Data},
+    issn = {0047-2689},
+    doi = {10.1063/1.2213631},
+    abstract = {{A new thermal conductivity equation λ=λ(T,ρ) in a multiparameter format was developed for carbon dioxide through the application of an optimization technique of the functional form. The proposed equation is valid for temperatures from the triple point (Tt=216.592K; Pt=0.51795MPa) to 1000K and pressures up to 200MPa. The calculation of density, which is an independent variable of the equation, from the experimental (T,P) conditions is performed with a high accuracy equation of state for the fluid. The thermal conductivity equation shows an average absolute deviation of 1.19\% on the selected 1407 primary data points. Its performances are slightly better than those of the corresponding conventional model by Vesovic et al. [J. Phys. Chem. Ref. Data 19, 763 (1990)] available from the literature; moreover the new equation is simpler to use in particular for the near-critical region. Tables of generated values of carbon dioxide thermal conductivity are provided for check of the code implementations and for quick evaluations.}},
+    pages = {1549--1575},
+    number = {4},
+    volume = {35},
+}

include/CarbonDioxide.h

@@ -0,0 +1,50 @@
+#pragma once
+
+#include "Helmholtz.h"
+#include "TransportModels.h"
+
+namespace fprops {
+
+/// Carbon dioxide fluid properties
+///
+/// References:
+/// 1. R. Span and W. Wagner. A New Equation of State for Carbon Dioxide Covering the Fluid Region
+///    from the Triple Point Temperature to 1100 K at Pressures up to 800 MPa. J. Phys. Chem. Ref.
+///    Data, 25:1509–1596, 1996. doi:10.1063/1.555991.
+/// 2. G. Scalabrin, P. Marchi, F. Finezzo, and R. Span. A Reference Multiparameter Thermal
+///    Conductivity Equation for Carbon Dioxide with an Optimized Functional Form. J. Phys. Chem.
+///    Ref. Data, 35(4):1549–1575, 2006. doi:10.1063/1.2213631.
+/// 3. A. Fenghour, W.A. Wakeham, and V. Vesovic. The viscosity of carbon dioxide. J. Phys. Chem.
+///    Ref. Data, 27(1):31–44, 1998. 5. doi:10.1063/1.556013.
+class CarbonDioxide : public Helmholtz {
+public:
+    CarbonDioxide();
+
+protected:
+    [[nodiscard]] double alpha(double delta, double tau) const override;
+    [[nodiscard]] double dalpha_ddelta(double delta, double tau) const override;
+    [[nodiscard]] double dalpha_dtau(double delta, double tau) const override;
+    [[nodiscard]] double d2alpha_ddelta2(double delta, double tau) const override;
+    [[nodiscard]] double d2alpha_dtau2(double delta, double tau) const override;
+    [[nodiscard]] double d2alpha_ddeltatau(double delta, double tau) const override;
+
+    [[nodiscard]] double mu_from_rho_T(double rho, double T) const override;
+    [[nodiscard]] double k_from_rho_T(double rho, double T) const override;
+
+private:
+    IdealGasLead<double> lead;
+    IdealGasLogTau<double> log_tau;
+    IdealGasPlanckEinstein<double> pe;
+    IdealEnthalpyEntropyOffset<double> offset;
+
+    ResidualPower<double> power_r;
+    ResidualPowerExp<double, unsigned int> power_exp_r;
+    ResidualGaussian<double> gauss;
+    ResidualNonAnalytic<double> noan;
+
+    LennardJones<double> eta_0;
+    ModifiedBatshinskiHildebrand<double> eta_r;
+    ModifiedBatshinskiHildebrand<double> lambda_r;
+};
+
+} // namespace fprops