From 70c06b26d27e08eed5874e8c1d1ae77700b6a6b8 Mon Sep 17 00:00:00 2001 From: Ian Bell Date: Tue, 26 Aug 2014 16:42:59 +0200 Subject: [PATCH 01/17] Do not install .lib files for mex libraries on windows Signed-off-by: Ian Bell --- CMakeLists.txt | 8 +++++++- 1 file changed, 7 insertions(+), 1 deletion(-) diff --git a/CMakeLists.txt b/CMakeLists.txt index 2fd72515..4bb998fc 100644 --- a/CMakeLists.txt +++ b/CMakeLists.txt @@ -159,8 +159,11 @@ if (COOLPROP_64BIT_SHARED_LIBRARY_MODULE OR COOLPROP_64BIT_SHARED_LIBRARY) set_target_properties(${app_name} PROPERTIES COMPILE_FLAGS "-m64" LINK_FLAGS "-m64") endif() add_dependencies (${app_name} generate_headers) - set_target_properties(${app_name} PROPERTIES PREFIX "") + if (MSVC) + + # No lib prefix for the shared library + set_target_properties(${app_name} PROPERTIES PREFIX "") add_custom_command(TARGET ${app_name} POST_BUILD COMMAND dumpbin /EXPORTS $ > ${CMAKE_CURRENT_BINARY_DIR}/exports.txt) @@ -549,6 +552,9 @@ if (COOLPROP_MATLAB_MODULE) add_library(HAPropsSI SHARED ${APP_SOURCES} ${CMAKE_SOURCE_DIR}/wrappers/MATLAB/Matlabdef.def ${CMAKE_SOURCE_DIR}/wrappers/MATLAB/HAProps.cpp) target_link_libraries(PropsSI ${MATLAB_LIBRARIES}) target_link_libraries(HAPropsSI ${MATLAB_LIBRARIES}) + + set_target_properties(PropsSI ARCHIVE_OUTPUT_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}) #Put .lib in this directory so it won't get installed + set_target_properties(HAPropsSI ARCHIVE_OUTPUT_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}) #Put .lib in this directory so it won't get installed if(WIN32) # 32-bit or 64-bit mex if (CMAKE_CL_64) From 90702038b821e6ba57218085fcbbca83175f0e92 Mon Sep 17 00:00:00 2001 From: Ian Bell Date: Tue, 26 Aug 2014 17:05:05 +0200 Subject: [PATCH 02/17] Added PROPERTIES for windows matlab builds Signed-off-by: Ian Bell --- CMakeLists.txt | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/CMakeLists.txt b/CMakeLists.txt index 4bb998fc..1f7033c2 100644 --- a/CMakeLists.txt +++ b/CMakeLists.txt @@ -553,8 +553,8 @@ if (COOLPROP_MATLAB_MODULE) target_link_libraries(PropsSI ${MATLAB_LIBRARIES}) target_link_libraries(HAPropsSI ${MATLAB_LIBRARIES}) - set_target_properties(PropsSI ARCHIVE_OUTPUT_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}) #Put .lib in this directory so it won't get installed - set_target_properties(HAPropsSI ARCHIVE_OUTPUT_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}) #Put .lib in this directory so it won't get installed + set_target_properties(PropsSI PROPERTIES ARCHIVE_OUTPUT_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}) #Put .lib in this directory so it won't get installed + set_target_properties(HAPropsSI PROPERTIES ARCHIVE_OUTPUT_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}) #Put .lib in this directory so it won't get installed if(WIN32) # 32-bit or 64-bit mex if (CMAKE_CL_64) From 5fea3097647dd861cfeb955fd463e1e05a18b52d Mon Sep 17 00:00:00 2001 From: Ian Bell Date: Tue, 26 Aug 2014 18:39:42 +0200 Subject: [PATCH 03/17] Fixed R11 ancillaries Signed-off-by: Ian Bell --- dev/fluids/R11.json | 160 ++++++++++++++++++++++---------------------- 1 file changed, 80 insertions(+), 80 deletions(-) diff --git a/dev/fluids/R11.json b/dev/fluids/R11.json index e29c9035..e7b7ee2d 100644 --- a/dev/fluids/R11.json +++ b/dev/fluids/R11.json @@ -42,108 +42,108 @@ "type": "rational_polynomial" }, "pL": { - "Tmin": 162.68000000000001, + "T_r": 471.06, + "Tmax": 471.05, + "Tmin": 162.68, "description": "p' = pc*exp(Tc/T*sum(n_i*theta^t_i))", - "Tmax": 471.05000000000001, - "using_tau_r": true, - "max_abserror_percentage": 0.035592288515440273, - "t": [ - 0.003, - 0.029, - 1.696, - 2.279, - 5.742, - 8.448 + "max_abserror_percentage": 0.025840508063401657, + "n": [ + 0.002488999538674866, + 0.17252290950983326, + -6.293222945340061, + -0.07387863714475532, + -3.286105292292795, + 2.274584153170513 ], "reducing_value": 4394000.0, - "T_r": 471.06, - "n": [ - -7.879607134124751, - 0.9890113036573663, - 2.609469327659576, - -2.9284269362809985, - -4.154329007797212, - 2.854121787641506 + "t": [ + 0.002, + 0.901, + 0.973, + 2.808, + 4.144, + 16.732 ], - "type": "pL" + "type": "pL", + "using_tau_r": true }, "pV": { - "Tmin": 162.68000000000001, + "T_r": 471.06, + "Tmax": 471.05, + "Tmin": 162.68, "description": "p'' = pc*exp(Tc/T*sum(n_i*theta^t_i))", - "Tmax": 471.05000000000001, - "using_tau_r": true, - "max_abserror_percentage": 0.10227628818365586, - "t": [ - 0.014, - 0.06, - 0.22, - 1.174, - 3.682, - 3.901 + "max_abserror_percentage": 0.2290674443088614, + "n": [ + -11.120479554886844, + 281.2061736332651, + -650.2529791068788, + 385.6318003272789, + -18.198375607518727, + 4.101426759626743 ], "reducing_value": 4394000.0, - "T_r": 471.06, - "n": [ - -10.566092482011701, - 4.291071312457424, - -0.7131411992620907, - 0.9063307505531512, - 1.6297078047932856, - -4.932183821910964 + "t": [ + 1.103, + 2.059, + 2.227, + 2.373, + 3.903, + 6.255 ], - "type": "pV" + "type": "pV", + "using_tau_r": true }, "rhoL": { - "Tmin": 162.68000000000001, + "T_r": 471.06, + "Tmax": 471.05, + "Tmin": 162.68, "description": "rho' = rhoc*(1+sum(n_i*theta^t_i))", - "Tmax": 471.05000000000001, - "using_tau_r": false, - "max_abserror_percentage": 0.16765507326250706, - "t": [ - 0.263, - 0.55, - 1.629, - 2.573, - 3.395, - 19.679 + "max_abserror_percentage": 0.032682517991688975, + "n": [ + 0.1369999075358185, + 2.5657629003804248, + -0.5933415750742217, + 0.7576689326270665, + -0.21901132344678031, + 0.21836410566455441 ], "reducing_value": 4113.0394269407725, - "T_r": 471.06, - "n": [ - 0.761043427480207, - 1.852550152931646, - -0.5766105549418219, - 1.2213889632373067, - -0.5943875756199383, - 8.044315782092438 + "t": [ + 0.128, + 0.465, + 0.948, + 1.743, + 2.364, + 7.362 ], - "type": "rhoLnoexp" + "type": "rhoLnoexp", + "using_tau_r": false }, "rhoV": { - "Tmin": 162.68000000000001, + "T_r": 471.06, + "Tmax": 471.05, + "Tmin": 162.68, "description": "rho'' = rhoc*exp(Tc/T*sum(n_i*theta^t_i))", - "Tmax": 471.05000000000001, - "using_tau_r": true, - "max_abserror_percentage": 4.95412803941917, - "t": [ - 0.42, - 2.574, - 5.527, - 9.81, - 14.598, - 16.056 + "max_abserror_percentage": 0.1730324085996715, + "n": [ + -0.19338479907103712, + 20.681546570974632, + -24.441568955282317, + -1.761137580982086, + -9.939134168011334, + 7.889769508867816 ], "reducing_value": 4113.0394269407725, - "T_r": 471.06, - "n": [ - -3.584040196306734, - -9.671738689741934, - 62.56987026226389, - -858.2036665098312, - 14388.231325320496, - -18630.024609966502 + "t": [ + 0.078, + 0.408, + 0.422, + 1.519, + 5.592, + 7.237 ], - "type": "rhoV" + "type": "rhoV", + "using_tau_r": true }, "sL": { "A": [ From 05f4c64049957529aa61cbd4ebf507f26f9246b7 Mon Sep 17 00:00:00 2001 From: Ian Bell Date: Tue, 26 Aug 2014 19:31:25 +0200 Subject: [PATCH 04/17] Potentially fixed critical spline code for linear and quadratic "splines". Closes https://github.com/CoolProp/CoolProp/issues/111 Signed-off-by: Ian Bell --- include/CoolPropFluid.h | 23 +++++++++++++---------- src/CoolPropTools.cpp | 38 ++++++++++++++++++++++++++++++++++++++ 2 files changed, 51 insertions(+), 10 deletions(-) diff --git a/include/CoolPropFluid.h b/include/CoolPropFluid.h index 0a4f5d6d..a40f23bd 100644 --- a/include/CoolPropFluid.h +++ b/include/CoolPropFluid.h @@ -46,29 +46,32 @@ struct CriticalRegionSplines{ bool enabled; CriticalRegionSplines(){enabled = false;}; void get_densities(double T, double rho_min, double rho_crit, double rho_max, double &rhoL, double &rhoV){ - bool ok1 = false, ok2 = false, ok3 = false; int Nsoln = -1, Ngood = 0; - double rho1, rho2, rho3; + double rho1 =0, rho2 = 0, rho3 = 0; // ----------- // Liquid part // ----------- Ngood = 0; + long double v1 = cL[0]*pow(rho_crit,3) + cL[1]*pow(rho_crit,2) + cL[2]*pow(rho_crit,1) + cL[3]; + long double v2 = cL[0]*pow(rho_max,3) + cL[1]*pow(rho_max,2) + cL[2]*pow(rho_max,1) + cL[3]; solve_cubic(cL[0], cL[1], cL[2], cL[3]-T, Nsoln, rho1, rho2, rho3); - if (rho1 < rho_max && rho1 > rho_crit){ ok1 = true; Ngood++; rhoL = rho1; } - if (rho2 < rho_max && rho2 > rho_crit){ ok2 = true; Ngood++; rhoL = rho2; } - if (rho3 < rho_max && rho3 > rho_crit){ ok3 = true; Ngood++; rhoL = rho3; } - if (Ngood != 1){ throw ValueError(format("more than one liquid solution found for critical spline for T=%g",T));}; + if (rho1 < rho_max && rho1 > rho_crit){ Ngood++; rhoL = rho1; } + if (rho2 < rho_max && rho2 > rho_crit){ Ngood++; rhoL = rho2; } + if (rho3 < rho_max && rho3 > rho_crit){ Ngood++; rhoL = rho3; } + if (Ngood > 1){ throw ValueError(format("More than one liquid solution found for critical spline for T=%g",T));}; + if (Ngood < 1){ throw ValueError(format("No liquid solution found for critical spline for T=%g",T));}; // ---------- // Vapor part // ---------- Ngood = 0; solve_cubic(cV[0], cV[1], cV[2], cV[3]-T, Nsoln, rho1, rho2, rho3); - if (rho1 > rho_min && rho1 < rho_crit){ ok1 = true; Ngood++; rhoV = rho1; } - if (rho2 > rho_min && rho2 < rho_crit){ ok2 = true; Ngood++; rhoV = rho2; } - if (rho3 > rho_min && rho3 < rho_crit){ ok3 = true; Ngood++; rhoV = rho3; } - if (Ngood != 1){ throw ValueError(format("more than one vapor solution found for critical spline for T=%g",T));}; + if (rho1 > rho_min && rho1 < rho_crit){ Ngood++; rhoV = rho1; } + if (rho2 > rho_min && rho2 < rho_crit){ Ngood++; rhoV = rho2; } + if (rho3 > rho_min && rho3 < rho_crit){ Ngood++; rhoV = rho3; } + if (Ngood > 1){ throw ValueError(format("More than one vapor solution found for critical spline for T=%g",T));}; + if (Ngood < 1){ throw ValueError(format("No vapor solution found for critical spline for T=%g",T));}; }; }; diff --git a/src/CoolPropTools.cpp b/src/CoolPropTools.cpp index 020e7cc1..f69087a5 100644 --- a/src/CoolPropTools.cpp +++ b/src/CoolPropTools.cpp @@ -161,9 +161,47 @@ std::string get_file_contents(const char *filename) void solve_cubic(double a, double b, double c, double d, int &N, double &x0, double &x1, double &x2) { // 0 = ax^3 + b*x^2 + c*x + d + + + if (std::abs(a) < 10*DBL_EPSILON){ + if (std::abs(b) < 10*DBL_EPSILON){ + // Linear solution if a = 0 and b = 0 + x0 = -d/c; + N = 1; + return; + } + else{ + // Quadratic solution(s) if a = 0 and b != 0 + x0 = (-c+sqrt(c*c-4*b*d))/(2*b); + x1 = (-c-sqrt(c*c-4*b*d))/(2*b); + N = 2; + return; + } + } + + // Ok, it is really a cubic // Discriminant double DELTA = 18*a*b*c*d-4*b*b*b*d+b*b*c*c-4*a*c*c*c-27*a*a*d*d; + double DELTA0 = b*b*b-2*a*c; + + // Deal with special cases + if (std::abs(DELTA) < 10*DBL_EPSILON){ + if (std::abs(DELTA0)>0){ + x0 = (9*a*d-b*c)/(2*DELTA0); + x1 = x0; + x2 = (4*a*b*c - 9*a*a*d - b*b*b)/(a*DELTA0); + N = 3; + return; + } + else{ + x0 = -b/(3*a); + x1 = x0; + x2 = x0; + N = 3; + return; + } + } // Coefficients for the depressed cubic t^3+p*t+q = 0 double p = (3*a*c-b*b)/(3*a*a); From a99654c9721629007fa57aa57c7b4d763988edc1 Mon Sep 17 00:00:00 2001 From: Ian Bell Date: Tue, 26 Aug 2014 19:47:41 +0200 Subject: [PATCH 05/17] Updated docs for generation of documentation --- Web/develop/documentation.rst | 10 +++++----- 1 file changed, 5 insertions(+), 5 deletions(-) diff --git a/Web/develop/documentation.rst b/Web/develop/documentation.rst index 4afc63f3..c6d8cec9 100644 --- a/Web/develop/documentation.rst +++ b/Web/develop/documentation.rst @@ -7,21 +7,21 @@ Documentation Build Sphinx documentation -------------------------- -1. Check out the sources in the CoolProp/Web folder +1. Check out the sources in the CoolProp/Web folder:: git clone https://github.com/CoolProp/CoolProp --recursive -2. Make a virtualenv - helps to keep sane ! +2. Make a virtualenv:: virtualenv ~/env/py27 source ~/env/py27/bin/activate # Turn on this virtual env, should see (py27) in your command shell next to the prompt to tell you that environment is active -3. Then install prerequisites into this virtualenv: +3. Then install prerequisites into this virtualenv:: pip install Cython pip install CoolProp sphinx sphinxcontrib-doxylink sphinxcontrib-napoleon cloud-sptheme ipython matplotlib numpy scipy -4. To build the documentation, go into the CoolProp/Web folder and run: +4. To build the documentation, go into the CoolProp/Web folder and run:: make html @@ -34,7 +34,7 @@ All the configuration is done in the ``Doxyfile`` file. 1. If you don't have doxygen, install it from `doxygen downloads `. Or on linux a ``sudo apt-get install doxygen`` should do it. -2. Simply fire up a shell in the root of the repo, and type +2. Simply fire up a shell in the root of the repo, and type:: doxygen Doxyfile From 2233e68d50404190626b51bde5979709d326b85c Mon Sep 17 00:00:00 2001 From: Ian Bell Date: Tue, 26 Aug 2014 19:56:47 +0200 Subject: [PATCH 06/17] Some updates to the docs Signed-off-by: Ian Bell --- Web/_templates/layout.html | 2 +- Web/develop/code.rst | 9 +++++++++ Web/develop/index.rst | 2 ++ 3 files changed, 12 insertions(+), 1 deletion(-) create mode 100644 Web/develop/code.rst diff --git a/Web/_templates/layout.html b/Web/_templates/layout.html index e9c1c1e7..4e4aea9b 100644 --- a/Web/_templates/layout.html +++ b/Web/_templates/layout.html @@ -6,7 +6,7 @@
  • CoolProp Online|
  • Examples|
  • Citation|
    • -
  • Code|
    • +
  • Code|
  • Downloads
    • {% endblock %} diff --git a/Web/develop/code.rst b/Web/develop/code.rst new file mode 100644 index 00000000..4142cbfc --- /dev/null +++ b/Web/develop/code.rst @@ -0,0 +1,9 @@ + +Source Code +=========== + +* The source code of CoolProp is stored in a github repository at https://github.com/CoolProp/CoolProp + +* To see nightly builds of the `doxygen `_ formatted HTML outputs for the development code, go to http://www.coolprop.dreamhosters.com/doc/CoolProp5/ + +* Other documentation about the source code and developer notes can be found at :ref:`develop`. diff --git a/Web/develop/index.rst b/Web/develop/index.rst index 4305958b..ba049ec5 100644 --- a/Web/develop/index.rst +++ b/Web/develop/index.rst @@ -1,3 +1,4 @@ +.. _develop: ************************** Information for Developers @@ -5,6 +6,7 @@ Information for Developers .. toctree:: + code.rst cmake.rst buildbot.rst documentation.rst From 5316a1fd934506ebdfa54cf637f5fbf52605d9ae Mon Sep 17 00:00:00 2001 From: Ian Bell Date: Tue, 26 Aug 2014 21:00:45 +0200 Subject: [PATCH 07/17] Added a bunch of mixture derivative tests (all passing). Signed-off-by: Ian Bell --- src/Backends/Helmholtz/MixtureDerivatives.cpp | 134 +++++++++++++++++- 1 file changed, 132 insertions(+), 2 deletions(-) diff --git a/src/Backends/Helmholtz/MixtureDerivatives.cpp b/src/Backends/Helmholtz/MixtureDerivatives.cpp index be874210..ab855543 100644 --- a/src/Backends/Helmholtz/MixtureDerivatives.cpp +++ b/src/Backends/Helmholtz/MixtureDerivatives.cpp @@ -210,7 +210,6 @@ long double MixtureDerivatives::d_ndalphardni_dDelta(HelmholtzEOSMixtureBackend } return term1 + term2 + term3; } - long double MixtureDerivatives::d_ndalphardni_dTau(HelmholtzEOSMixtureBackend &HEOS, std::size_t i) { // The first line @@ -228,5 +227,136 @@ long double MixtureDerivatives::d_ndalphardni_dTau(HelmholtzEOSMixtureBackend &H return term1 + term2 + term3; } - } /* namespace CoolProp */ + +#ifdef ENABLE_CATCH +#include "catch.hpp" + +using namespace CoolProp; +TEST_CASE("Mixture derivative checks", "[mixtures],[mixture_derivs]") +{ + /* Set up a test class for the mixture tests */ + std::vector names(2); + names[0] = "Methane"; names[1] = "Ethane"; + std::vector z(2); + z[0] = 0.5; z[1] = 1-z[0]; + shared_ptr HEOS(new HelmholtzEOSMixtureBackend(names)); + HelmholtzEOSMixtureBackend &rHEOS = *(HEOS.get()); + rHEOS.set_mole_fractions(z); + + // These ones only require the i index + for (std::size_t i = 0; i< z.size();++i) + { + std::ostringstream ss1; + ss1 << "dln_fugacity_coefficient_dT__constp_n, i=" << i; + SECTION(ss1.str(), "") + { + double T1 = 300, dT = 1e-3; + rHEOS.specify_phase(iphase_gas); + + rHEOS.update(PT_INPUTS, 101325, T1); + double analytic = MixtureDerivatives::dln_fugacity_coefficient_dT__constp_n(rHEOS, i); + + rHEOS.update(PT_INPUTS, 101325, T1 + dT); + double v1 = MixtureDerivatives::ln_fugacity_coefficient(rHEOS, i); + rHEOS.update(PT_INPUTS, 101325, T1 - dT); + double v2 = MixtureDerivatives::ln_fugacity_coefficient(rHEOS, i); + + double numeric = (v1 - v2)/(2*dT); + double err = std::abs((numeric-analytic)/analytic); + CHECK(err < 1e-6); + } + + std::ostringstream ss2; + ss2 << "dln_fugacity_coefficient_dp__constT_n, i=" << i; + SECTION(ss2.str(), "") + { + double p1 = 101325, dP = 1; + rHEOS.specify_phase(iphase_gas); + + rHEOS.update(PT_INPUTS, p1, 300); + double analytic = MixtureDerivatives::dln_fugacity_coefficient_dp__constT_n(rHEOS, i); + + rHEOS.update(PT_INPUTS, p1 + dP, 300); + double v1 = MixtureDerivatives::ln_fugacity_coefficient(rHEOS, i); + rHEOS.update(PT_INPUTS, p1 - dP, 300); + double v2 = MixtureDerivatives::ln_fugacity_coefficient(rHEOS, i); + + double numeric = (v1 - v2)/(2*dP); + double err = std::abs((numeric-analytic)/analytic); + CHECK(err < 1e-6); + } + std::ostringstream ss3; + ss3 << "d_ndalphardni_dDelta, i=" << i; + SECTION(ss3.str(), "") + { + double p1 = 101325, dP = 1e-1; + rHEOS.specify_phase(iphase_gas); + + rHEOS.update(PT_INPUTS, p1, 300); + double analytic = MixtureDerivatives::d_ndalphardni_dDelta(rHEOS, i); + + rHEOS.update(PT_INPUTS, p1 + dP, 300); + double v1 = MixtureDerivatives::ndalphar_dni__constT_V_nj(rHEOS, i), delta1 = rHEOS.delta(); + rHEOS.update(PT_INPUTS, p1 - dP, 300); + double v2 = MixtureDerivatives::ndalphar_dni__constT_V_nj(rHEOS, i), delta2 = rHEOS.delta(); + + double numeric = (v1 - v2)/(delta1 - delta2); + double err = std::abs((numeric-analytic)/analytic); + CHECK(err < 1e-6); + } + std::ostringstream ss4; + ss4 << "d_ndalphardni_dTau, i=" << i; + SECTION(ss4.str(), "") + { + double p1 = 101325, dT = 1e-2; + rHEOS.specify_phase(iphase_gas); + rHEOS.update(PT_INPUTS, 101325, 300); + double rho1 = rHEOS.rhomolar(); + + rHEOS.update(DmolarT_INPUTS, rho1, 300); + double analytic = MixtureDerivatives::d_ndalphardni_dTau(rHEOS, i); + + rHEOS.update(DmolarT_INPUTS, rho1, 300 + dT); + double v1 = MixtureDerivatives::ndalphar_dni__constT_V_nj(rHEOS, i), tau1 = rHEOS.tau(); + rHEOS.update(DmolarT_INPUTS, rho1, 300 - dT); + double v2 = MixtureDerivatives::ndalphar_dni__constT_V_nj(rHEOS, i), tau2 = rHEOS.tau(); + + double numeric = (v1 - v2)/(tau1 - tau2); + double err = std::abs((numeric-analytic)/analytic); + CHECK(err < 1e-6); + } + + // These derivatives depend on both the i and j indices + for (std::size_t j = 0; j < z.size(); ++j){ + std::ostringstream ss1; + ss1 << "dln_fugacity_coefficient_dxj__constT_p_xi, i=" << i << ", j=" << j; + SECTION(ss1.str(), "") + { + double dz = 1e-6; + rHEOS.specify_phase(iphase_gas); + rHEOS.update(PT_INPUTS, 101325, 300); + double rho1 = rHEOS.rhomolar(); + double analytic = MixtureDerivatives::dln_fugacity_coefficient_dxj__constT_p_xi(rHEOS, i, j); + std::vector zp = z; /// Copy base composition + zp[j] += dz; + rHEOS.set_mole_fractions(zp); + rHEOS.update(PT_INPUTS, 101325, 300); + double v1 = MixtureDerivatives::ln_fugacity_coefficient(rHEOS, i), tau1 = rHEOS.tau(); + std::vector zm = z; /// Copy base composition + zm[j] -= dz; + rHEOS.set_mole_fractions(zm); + rHEOS.update(PT_INPUTS, 101325, 300); + double v2 = MixtureDerivatives::ln_fugacity_coefficient(rHEOS, i), tau2 = rHEOS.tau(); + + double numeric = (v1 - v2)/(2*dz); + double err = std::abs((numeric-analytic)/analytic); + CHECK(err < 1e-6); + } + } + + } +} +#endif + + From 229552ff93d96cf633e3da005d3444647e40f0f5 Mon Sep 17 00:00:00 2001 From: Ian Bell Date: Tue, 26 Aug 2014 21:01:24 +0200 Subject: [PATCH 08/17] Removed debugging commands Signed-off-by: Ian Bell --- include/CoolPropFluid.h | 2 -- 1 file changed, 2 deletions(-) diff --git a/include/CoolPropFluid.h b/include/CoolPropFluid.h index a40f23bd..25e74260 100644 --- a/include/CoolPropFluid.h +++ b/include/CoolPropFluid.h @@ -53,8 +53,6 @@ struct CriticalRegionSplines{ // Liquid part // ----------- Ngood = 0; - long double v1 = cL[0]*pow(rho_crit,3) + cL[1]*pow(rho_crit,2) + cL[2]*pow(rho_crit,1) + cL[3]; - long double v2 = cL[0]*pow(rho_max,3) + cL[1]*pow(rho_max,2) + cL[2]*pow(rho_max,1) + cL[3]; solve_cubic(cL[0], cL[1], cL[2], cL[3]-T, Nsoln, rho1, rho2, rho3); if (rho1 < rho_max && rho1 > rho_crit){ Ngood++; rhoL = rho1; } if (rho2 < rho_max && rho2 > rho_crit){ Ngood++; rhoL = rho2; } From 1b33c2f49246723317310c7391cf1059876e832c Mon Sep 17 00:00:00 2001 From: Jean-Julien Fleck Date: Tue, 26 Aug 2014 21:44:52 +0200 Subject: [PATCH 09/17] Switched default to SI units --- wrappers/Python/CoolProp/Plots/Common.py | 8 ++++---- wrappers/Python/CoolProp/Plots/Plots.py | 6 +++--- 2 files changed, 7 insertions(+), 7 deletions(-) diff --git a/wrappers/Python/CoolProp/Plots/Common.py b/wrappers/Python/CoolProp/Plots/Common.py index 3635f1b0..a640cab4 100644 --- a/wrappers/Python/CoolProp/Plots/Common.py +++ b/wrappers/Python/CoolProp/Plots/Common.py @@ -12,10 +12,10 @@ SMALL = 1E-5 class BasePlot(object): #TODO: Simplify / Consolidate dictionary maps AXIS_LABELS = {'T': ["Temperature", r"[K]"], - 'P': ["Pressure", r"[kPa]"], - 'S': ["Entropy", r"[kJ/kg/K]"], - 'H': ["Enthalpy", r"[kJ/kg]"], - 'U': ["Internal Energy", r"[kJ/kg]"], + 'P': ["Pressure", r"[Pa]"], + 'S': ["Entropy", r"[J/kg/K]"], + 'H': ["Enthalpy", r"[J/kg]"], + 'U': ["Internal Energy", r"[J/kg]"], 'D': ["Density", r"[kg/m$^3$]"] } diff --git a/wrappers/Python/CoolProp/Plots/Plots.py b/wrappers/Python/CoolProp/Plots/Plots.py index e2975bdc..7ca4f910 100644 --- a/wrappers/Python/CoolProp/Plots/Plots.py +++ b/wrappers/Python/CoolProp/Plots/Plots.py @@ -183,8 +183,8 @@ def drawLines(Ref,lines,axis,plt_kwargs=None): class IsoLines(BasePlot): - def __init__(self, fluid_ref, graph_type, iso_type, **kwargs): - BasePlot.__init__(self, fluid_ref, graph_type, **kwargs) + def __init__(self, fluid_ref, graph_type, iso_type, unit_system='SI', **kwargs): + BasePlot.__init__(self, fluid_ref, graph_type, unit_system=unit_system,**kwargs) if not isinstance(iso_type, str): raise TypeError("Invalid iso_type input, expected a string") @@ -465,7 +465,7 @@ class PropsPlot(BasePlot): See the online documentation for a list of the available fluids and graph types """ - BasePlot.__init__(self, fluid_name, graph_type, **kwargs) + BasePlot.__init__(self, fluid_name, graph_type, unit_system=units, **kwargs) self.smin = kwargs.get('smin', None) self.smax = kwargs.get('smax', None) From bbc97ac230d891cdd0264984abf3669d197c038f Mon Sep 17 00:00:00 2001 From: Ian Bell Date: Tue, 26 Aug 2014 23:12:16 +0200 Subject: [PATCH 10/17] Added methanol viscosity correlation to close https://github.com/CoolProp/CoolProp/issues/82 Signed-off-by: Ian Bell --- CoolPropBibTeXLibrary.bib | 12 ++++ dev/fluids/Methanol.json | 6 ++ include/CoolPropFluid.h | 1 + src/Backends/Helmholtz/Fluids/FluidLibrary.h | 3 + .../Helmholtz/HelmholtzEOSMixtureBackend.cpp | 2 + src/Backends/Helmholtz/TransportRoutines.cpp | 63 ++++++++++++++++++- src/Backends/Helmholtz/TransportRoutines.h | 6 ++ src/Tests/CoolProp-Tests.cpp | 26 ++------ 8 files changed, 96 insertions(+), 23 deletions(-) diff --git a/CoolPropBibTeXLibrary.bib b/CoolPropBibTeXLibrary.bib index ee5fe425..5422c3eb 100644 --- a/CoolPropBibTeXLibrary.bib +++ b/CoolPropBibTeXLibrary.bib @@ -1645,6 +1645,18 @@ timestamp = {2013.04.09} } +@ARTICLE{Xiang-JPCRD-2006, + author = {Hong Wei Xiang and Arno Laesecke and Marcia L. Huber}, + title = {{A New Reference Correlation for the Viscosity of Methanol}}, + journal = {J. Phys. Chem. Ref. Data}, + year = {2006}, + volume = {35}, + pages = {1597-1:24}, + number = {4}, + owner = {Belli}, + timestamp = {2014.08.26} +} + @ARTICLE{Younglove-JPCRD-1994, author = {Ben A. Younglove}, title = {{An International Standard Equation of State for the Thermodynamic diff --git a/dev/fluids/Methanol.json b/dev/fluids/Methanol.json index 2c31f935..0fb96590 100644 --- a/dev/fluids/Methanol.json +++ b/dev/fluids/Methanol.json @@ -455,5 +455,11 @@ "rhomolar": 0.00012793439653979163, "rhomolar_units": "mol/m^3" } + }, + "TRANSPORT": { + "viscosity": { + "BibTeX": "Xiang-JPCRD-2006", + "hardcoded": "Methanol" + } } } \ No newline at end of file diff --git a/include/CoolPropFluid.h b/include/CoolPropFluid.h index 25e74260..a6beec77 100644 --- a/include/CoolPropFluid.h +++ b/include/CoolPropFluid.h @@ -260,6 +260,7 @@ public: enum ViscosityHardcodedEnum {VISCOSITY_HARDCODED_WATER, ///< Use \ref TransportRoutines::viscosity_water_hardcoded VISCOSITY_HARDCODED_HELIUM, ///< Use \ref TransportRoutines::viscosity_helium_hardcoded VISCOSITY_HARDCODED_R23, ///< Use \ref TransportRoutines::viscosity_R23_hardcoded + VISCOSITY_HARDCODED_METHANOL, ///< Use \ref TransportRoutines::viscosity_methanol_hardcoded VISCOSITY_NOT_HARDCODED }; enum ConductivityHardcodedEnum { diff --git a/src/Backends/Helmholtz/Fluids/FluidLibrary.h b/src/Backends/Helmholtz/Fluids/FluidLibrary.h index d6343e1f..e9163b0f 100644 --- a/src/Backends/Helmholtz/Fluids/FluidLibrary.h +++ b/src/Backends/Helmholtz/Fluids/FluidLibrary.h @@ -640,6 +640,9 @@ protected: else if (!target.compare("R23")){ fluid.transport.hardcoded_viscosity = CoolProp::TransportPropertyData::VISCOSITY_HARDCODED_R23; return; } + else if (!target.compare("Methanol")){ + fluid.transport.hardcoded_viscosity = CoolProp::TransportPropertyData::VISCOSITY_HARDCODED_METHANOL; return; + } else{ throw ValueError(format("hardcoded viscosity [%s] is not understood for fluid %s",target.c_str(), fluid.name.c_str())); } diff --git a/src/Backends/Helmholtz/HelmholtzEOSMixtureBackend.cpp b/src/Backends/Helmholtz/HelmholtzEOSMixtureBackend.cpp index ceb43b8d..1b81cb10 100644 --- a/src/Backends/Helmholtz/HelmholtzEOSMixtureBackend.cpp +++ b/src/Backends/Helmholtz/HelmholtzEOSMixtureBackend.cpp @@ -356,6 +356,8 @@ long double HelmholtzEOSMixtureBackend::calc_viscosity(void) return TransportRoutines::viscosity_helium_hardcoded(*this); case CoolProp::TransportPropertyData::VISCOSITY_HARDCODED_R23: return TransportRoutines::viscosity_R23_hardcoded(*this); + case CoolProp::TransportPropertyData::VISCOSITY_HARDCODED_METHANOL: + return TransportRoutines::viscosity_methanol_hardcoded(*this); default: throw ValueError(format("hardcoded viscosity type [%d] is invalid for fluid %s", component.transport.hardcoded_viscosity, name().c_str())); } diff --git a/src/Backends/Helmholtz/TransportRoutines.cpp b/src/Backends/Helmholtz/TransportRoutines.cpp index 1ed7f941..7858850c 100644 --- a/src/Backends/Helmholtz/TransportRoutines.cpp +++ b/src/Backends/Helmholtz/TransportRoutines.cpp @@ -372,8 +372,6 @@ long double TransportRoutines::viscosity_higher_order_friction_theory(HelmholtzE else{ throw NotImplementedError("TransportRoutines::viscosity_higher_order_friction_theory is only for pure and pseudo-pure"); } - - } long double TransportRoutines::viscosity_helium_hardcoded(HelmholtzEOSMixtureBackend &HEOS) @@ -418,6 +416,67 @@ long double TransportRoutines::viscosity_helium_hardcoded(HelmholtzEOSMixtureBac } } +long double TransportRoutines::viscosity_methanol_hardcoded(HelmholtzEOSMixtureBackend &HEOS) +{ + long double B_eta, C_eta, + epsilon_over_k = 577.87, /* [K]*/ + sigma0 = 0.3408e-9, /* [m] */ + delta = 0.4575, /* NOT the reduced density, that is rhor here*/ + N_A = 6.02214129e23, + M = 32.04216, /* kg/kmol */ + T = HEOS.T(); + long double rhomolar = HEOS.rhomolar(); + + long double B_eta_star, C_eta_star; + long double Tstar = T/epsilon_over_k; // [no units] + long double rhor = HEOS.rhomass()/273; + long double Tr = T/512.6; + + // Rainwater-Friend initial density terms + { // Scoped here so that we can re-use the b variable + long double b[9] = {-19.572881, 219.73999, -1015.3226, 2471.01251, -3375.1717, 2491.6597, -787.26086, 14.085455, -0.34664158}; + long double t[9] = {0, -0.25, -0.5, -0.75, -1.0, -1.25, -1.5, -2.5, -5.5}; + long double summer = 0; + for (unsigned int i = 0; i < 9; ++i){ + summer += b[i]*pow(Tstar, t[i]); + } + B_eta_star = summer; // [no units] + B_eta = N_A*pow(sigma0, 3)*B_eta_star; // [m^3/mol] + + long double c[2] = {1.86222085e-3, 9.990338}; + C_eta_star = c[0]*pow(Tstar,3)*exp(c[1]*pow(Tstar,-0.5)); // [no units] + C_eta = pow(N_A*pow(sigma0, 3), 2)*C_eta_star; // [m^6/mol^2] + } + + long double eta_g = 1 + B_eta*rhomolar + C_eta*rhomolar*rhomolar; + long double a[13] = {1.16145, -0.14874, 0.52487, -0.77320, 2.16178, -2.43787, 0.95976e-3, 0.10225, -0.97346, 0.10657, -0.34528, -0.44557, -2.58055}; + long double d[7] = {-1.181909, 0.5031030, -0.6268461, 0.5169312, -0.2351349, 5.3980235e-2, -4.9069617e-3}; + long double e[10] = {0, 4.018368, -4.239180, 2.245110, -0.5750698, 2.3021026e-2, 2.5696775e-2, -6.8372749e-3, 7.2707189e-4, -2.9255711e-5}; + + long double OMEGA_22_star_LJ = a[0]*pow(Tstar,a[1])+a[2]*exp(a[3]*Tstar)+a[4]*exp(a[5]*Tstar); + long double OMEGA_22_star_delta = a[7]*pow(Tstar,a[8]) + a[9]*exp(a[10]*Tstar) + a[11]*exp(a[12]*Tstar); + long double OMEGA_22_star_SM = OMEGA_22_star_LJ*(1+pow(delta,2)/(1+a[6]*pow(delta,6))*OMEGA_22_star_delta); + long double eta_0 = 2.66957e-26*sqrt(M*T)/(pow(sigma0,2)*OMEGA_22_star_SM); + + long double summerd = 0; + for (unsigned int i = 0; i < 7; ++i){ + summerd += d[i]/pow(Tr, i); + } + for (unsigned int j = 1; j < 10; ++j){ + summerd += e[j]*pow(rhor, j); + } + long double sigmac = 0.7193422e-9; // [m] + long double sigma_HS = summerd*sigmac; // [m] + long double b = 2*M_PI*N_A*pow(sigma_HS,3)/3; // [m^3/mol] + long double zeta = b*rhomolar/4; // [-] + long double g_sigma_HS = (1 - 0.5*zeta)/pow(1 - zeta, 3); // [-] + long double eta_E = 1/g_sigma_HS + 0.8*b*rhomolar + 0.761*g_sigma_HS*pow(b*rhomolar,2); // [-] + + long double f = 1/(1+exp(5*(rhor-1))); + return eta_0*(f*eta_g + (1-f)*eta_E); + +} + long double TransportRoutines::viscosity_R23_hardcoded(HelmholtzEOSMixtureBackend &HEOS) { double C1 = 1.3163, // diff --git a/src/Backends/Helmholtz/TransportRoutines.h b/src/Backends/Helmholtz/TransportRoutines.h index 5979b904..879cd7f5 100644 --- a/src/Backends/Helmholtz/TransportRoutines.h +++ b/src/Backends/Helmholtz/TransportRoutines.h @@ -96,6 +96,12 @@ public: static long double viscosity_dilute_ethane(HelmholtzEOSMixtureBackend &HEOS); static long double viscosity_dilute_cyclohexane(HelmholtzEOSMixtureBackend &HEOS); + /** \brief Viscosity hardcoded for Methanol + * + * From Xiang et al., A New Reference Correlation for the Viscosity of Methanol, J. Phys. Chem. Ref. Data, Vol. 35, No. 4, 2006 + */ + static long double viscosity_methanol_hardcoded(HelmholtzEOSMixtureBackend &HEOS); + static long double viscosity_water_hardcoded(HelmholtzEOSMixtureBackend &HEOS); static long double viscosity_helium_hardcoded(HelmholtzEOSMixtureBackend &HEOS); static long double viscosity_R23_hardcoded(HelmholtzEOSMixtureBackend &HEOS); diff --git a/src/Tests/CoolProp-Tests.cpp b/src/Tests/CoolProp-Tests.cpp index ddcbd108..c30121f4 100644 --- a/src/Tests/CoolProp-Tests.cpp +++ b/src/Tests/CoolProp-Tests.cpp @@ -208,19 +208,10 @@ vel("Ethane", "T", 430, "Dmolar", 12780, "V", 58.70e-6, 1e-2), vel("Ethane", "T", 500, "Dmolar", 11210, "V", 48.34e-6, 1e-2), // From Xiang, JPCRD, 2006 - -vel("Methanol", "T", 600, "Dmass", 800.23, "V", 0.1888e-3, 1e-4), -vel("Methanol", "T", 600, "Dmass", 833.20, "V", 0.2092e-3, 1e-4), -vel("Methanol", "T", 600, "Dmass", 861.37, "V", 0.2279e-3, 1e-4), -vel("Methanol", "T", 600, "Dmass", 908.33, "V", 0.2634e-3, 1e-4), -vel("Methanol", "T", 620, "Dmass", 788.58, "V", 0.1779e-3, 1e-4), -vel("Methanol", "T", 620, "Dmass", 822.14, "V", 0.1972e-3, 1e-4), -vel("Methanol", "T", 620, "Dmass", 850.77, "V", 0.2148e-3, 1e-4), -vel("Methanol", "T", 620, "Dmass", 898.48, "V", 0.2477e-3, 1e-4), -vel("Methanol", "T", 630, "Dmass", 782.76, "V", 0.1729e-3, 1e-4), -vel("Methanol", "T", 630, "Dmass", 811.06, "V", 0.1917e-3, 1e-4), -vel("Methanol", "T", 630, "Dmass", 840.11, "V", 0.2088e-3, 1e-4), -vel("Methanol", "T", 630, "Dmass", 888.50, "V", 0.2405e-3, 1e-4), +vel("Methanol", "T", 300, "Dmass", 0.12955, "V", 0.009696e-3, 1e-3), +vel("Methanol", "T", 300, "Dmass", 788.41, "V", 0.5422e-3, 1e-3), +vel("Methanol", "T", 630, "Dmass", 0.061183, "V", 0.02081e-3, 1e-3), +vel("Methanol", "T", 630, "Dmass", 888.50, "V", 0.2405e-3, 1e-1), // From REFPROP 9.1 since no data provided vel("n-Butane", "T", 150, "Q", 0, "V", 0.0013697657668, 1e-4), @@ -275,7 +266,7 @@ TEST_CASE_METHOD(TransportValidationFixture, "Compare viscosities against publis { vel el = viscosity_validation_data[i]; CHECK_NOTHROW(set_backend("HEOS", el.fluid)); - + CAPTURE(el.fluid); CAPTURE(el.in1); CAPTURE(el.v1); @@ -1124,7 +1115,6 @@ TEST_CASE("Ancillary functions", "[ancillary]") { double T = f*Tc + (1-f)*Tt; - std::ostringstream ss1; ss1 << "Pressure error < 2% for fluid " << fluids[i] << " at " << T << " K"; SECTION(ss1.str(), "") @@ -1186,17 +1176,11 @@ TEST_CASE("Triple point checks", "[triple_point]") double p_sat_min_vapor = HEOS->get_components()[0]->pEOS->sat_min_vapor.p; double err_sat_min_liquid = std::abs(p_EOS-p_sat_min_liquid)/p_sat_min_liquid; double err_sat_min_vapor = std::abs(p_EOS-p_sat_min_vapor)/p_sat_min_vapor; - double p_triple_liquid = HEOS->get_components()[0]->triple_liquid.p; - double p_triple_vapor = HEOS->get_components()[0]->triple_liquid.p; - double err_triple_liquid = std::abs(p_EOS-p_triple_liquid)/p_triple_liquid; - double err_triple_vapor = std::abs(p_EOS-p_triple_vapor)/p_triple_vapor; CAPTURE(err_sat_min_liquid); CAPTURE(err_sat_min_vapor); CHECK(err_sat_min_liquid < 1e-3); CHECK(err_sat_min_vapor < 1e-3); - CHECK(err_triple_liquid < 1e-3); - CHECK(err_triple_vapor < 1e-3); } // std::ostringstream ss2; From 8b388f65a4a0f94c4c3ad677b9cf4f27a92386c9 Mon Sep 17 00:00:00 2001 From: Ian Bell Date: Tue, 26 Aug 2014 23:13:20 +0200 Subject: [PATCH 11/17] Updated ancillaries for R245fa Signed-off-by: Ian Bell --- dev/fluids/R245fa.json | 184 ++++++++++++++++++++--------------------- 1 file changed, 92 insertions(+), 92 deletions(-) diff --git a/dev/fluids/R245fa.json b/dev/fluids/R245fa.json index 49319720..f34169a9 100644 --- a/dev/fluids/R245fa.json +++ b/dev/fluids/R245fa.json @@ -43,109 +43,109 @@ "max_abs_error_units": "J/mol", "type": "rational_polynomial" }, - "pL": { - "T_r": 427.16, - "Tmax": 427.15999999999934, - "Tmin": 171.05, - "description": "p' = pc*exp(Tc/T*sum(n_i*theta^t_i))", - "max_abserror_percentage": 0.04099399491688249, - "n": [ - 0.0004869832757370176, - -6.919145483936883, - -1.296447452384627, - -109.63729861885537, - 107.66538794686012, - -3.4622351305818055 - ], - "reducing_value": 3651000.0, - "t": [ - 0.01, - 0.975, - 2.763, - 4.376, - 4.413, - 6.994 - ], - "type": "pL", - "using_tau_r": true - }, "pV": { - "T_r": 427.16, - "Tmax": 427.15999999999934, - "Tmin": 171.05, + "Tmin": 171.05000000000001, "description": "p'' = pc*exp(Tc/T*sum(n_i*theta^t_i))", - "max_abserror_percentage": 0.018077333401533835, - "n": [ - -125.12984314778919, - 152.9911248662765, - -35.27317598226143, - -4.102406386050718, - 0.25362281678701887, - -1.994325281027591 + "Tmax": 427.0, + "using_tau_r": true, + "max_abserror_percentage": 0.021575129298945228, + "t": [ + 0.775, + 0.971, + 2.155, + 3.232, + 9.097, + 11.456 ], "reducing_value": 3651000.0, - "t": [ - 1.141, - 1.179, - 1.287, - 3.64, - 5.737, - 7.077 - ], - "type": "pV", - "using_tau_r": true - }, - "rhoL": { - "T_r": 427.16, - "Tmax": 427.15999999999934, - "Tmin": 171.05, - "description": "rho' = rhoc*(1+sum(n_i*theta^t_i))", - "max_abserror_percentage": 0.6726827141749103, + "T_r": 427.01, "n": [ - 5.25176887594682, - -4.096294176783149, - 10.999081251417799, - -11.640705049730522, - 4.081973016432867, - -133.73894447755137 + 0.21292235127871662, + -7.22997740109537, + 0.4023556144042939, + -4.366079807014841, + -9.155639983057442, + 14.533193893397405 ], - "reducing_value": 3849.9999999999995, - "t": [ - 0.42, - 0.565, - 1.624, - 1.967, - 4.012, - 15.818 - ], - "type": "rhoLnoexp", - "using_tau_r": false + "type": "pV" }, "rhoV": { - "T_r": 427.16, - "Tmax": 427.15999999999934, - "Tmin": 171.05, + "Tmin": 171.05000000000001, "description": "rho'' = rhoc*exp(Tc/T*sum(n_i*theta^t_i))", - "max_abserror_percentage": 0.6375071010457756, - "n": [ - -2.215307322989694, - -1.1625687686537725, - -7.315572965034845, - 5.341825675363525, - -7.602957384362923, - 17.028040285012285 - ], - "reducing_value": 3849.9999999999995, + "Tmax": 427.0, + "using_tau_r": true, + "max_abserror_percentage": 0.26467661268476661, "t": [ - 0.383, - 0.46, - 1.442, - 1.848, - 3.855, - 12.963 + 0.075, + 0.466, + 1.018, + 2.817, + 6.14, + 8.5 ], - "type": "rhoV", - "using_tau_r": true + "reducing_value": 3875.0, + "T_r": 427.01, + "n": [ + -0.12316786769188867, + -3.5467162730203325, + -2.100626576983384, + -3.02259697521286, + -10.604906302496444, + 12.900898794193413 + ], + "type": "rhoV" + }, + "pL": { + "Tmin": 171.05000000000001, + "description": "p' = pc*exp(Tc/T*sum(n_i*theta^t_i))", + "Tmax": 427.0, + "using_tau_r": true, + "max_abserror_percentage": 0.013022195594358799, + "t": [ + 7.194, + 1.03, + 1.145, + 2.84, + 4.613, + 18.798 + ], + "reducing_value": 3651000.0, + "T_r": 427.01, + "n": [ + -0.9670903356725931, + -11.756404923945222, + 5.087651519671258, + -2.835805078027625, + -2.217939014066299, + 28.8905424182831 + ], + "type": "pL" + }, + "rhoL": { + "Tmin": 171.05000000000001, + "description": "rho' = rhoc*(1+sum(n_i*theta^t_i))", + "Tmax": 427.0, + "using_tau_r": false, + "max_abserror_percentage": 0.040900248845132658, + "t": [ + 0.144, + 0.165, + 0.53, + 1.993, + 2.646, + 3.593 + ], + "reducing_value": 3875.0, + "T_r": 427.01, + "n": [ + -0.645916749226158, + 1.2435143264412414, + 2.1374254146018647, + -1.4105539340976712, + 2.697825229930464, + -1.236775453941409 + ], + "type": "rhoLnoexp" }, "sL": { "A": [ From 29170cd44cc0d09c6905949071a72773b4756d6a Mon Sep 17 00:00:00 2001 From: Ian Bell Date: Tue, 26 Aug 2014 23:13:55 +0200 Subject: [PATCH 12/17] Tidy derivatives Signed-off-by: Ian Bell --- src/Backends/Helmholtz/MixtureDerivatives.cpp | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/src/Backends/Helmholtz/MixtureDerivatives.cpp b/src/Backends/Helmholtz/MixtureDerivatives.cpp index ab855543..ceefc2dd 100644 --- a/src/Backends/Helmholtz/MixtureDerivatives.cpp +++ b/src/Backends/Helmholtz/MixtureDerivatives.cpp @@ -342,12 +342,12 @@ TEST_CASE("Mixture derivative checks", "[mixtures],[mixture_derivs]") zp[j] += dz; rHEOS.set_mole_fractions(zp); rHEOS.update(PT_INPUTS, 101325, 300); - double v1 = MixtureDerivatives::ln_fugacity_coefficient(rHEOS, i), tau1 = rHEOS.tau(); + double v1 = MixtureDerivatives::ln_fugacity_coefficient(rHEOS, i); std::vector zm = z; /// Copy base composition zm[j] -= dz; rHEOS.set_mole_fractions(zm); rHEOS.update(PT_INPUTS, 101325, 300); - double v2 = MixtureDerivatives::ln_fugacity_coefficient(rHEOS, i), tau2 = rHEOS.tau(); + double v2 = MixtureDerivatives::ln_fugacity_coefficient(rHEOS, i); double numeric = (v1 - v2)/(2*dz); double err = std::abs((numeric-analytic)/analytic); From dafa165dd858b92c63bbd38ba9b7eabedfcc5bfa Mon Sep 17 00:00:00 2001 From: Ian Bell Date: Tue, 26 Aug 2014 23:15:04 +0200 Subject: [PATCH 13/17] Add note for methanol Signed-off-by: Ian Bell --- src/Tests/CoolProp-Tests.cpp | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/Tests/CoolProp-Tests.cpp b/src/Tests/CoolProp-Tests.cpp index c30121f4..bbdf1be3 100644 --- a/src/Tests/CoolProp-Tests.cpp +++ b/src/Tests/CoolProp-Tests.cpp @@ -211,7 +211,7 @@ vel("Ethane", "T", 500, "Dmolar", 11210, "V", 48.34e-6, 1e-2), vel("Methanol", "T", 300, "Dmass", 0.12955, "V", 0.009696e-3, 1e-3), vel("Methanol", "T", 300, "Dmass", 788.41, "V", 0.5422e-3, 1e-3), vel("Methanol", "T", 630, "Dmass", 0.061183, "V", 0.02081e-3, 1e-3), -vel("Methanol", "T", 630, "Dmass", 888.50, "V", 0.2405e-3, 1e-1), +vel("Methanol", "T", 630, "Dmass", 888.50, "V", 0.2405e-3, 1e-1), // They use a different EOS in the high pressure region // From REFPROP 9.1 since no data provided vel("n-Butane", "T", 150, "Q", 0, "V", 0.0013697657668, 1e-4), From fa8a22feb5c6dc798c778652a0feb0342d314c28 Mon Sep 17 00:00:00 2001 From: Ian Bell Date: Tue, 26 Aug 2014 23:16:57 +0200 Subject: [PATCH 14/17] Update TTD.txt --- TTD.txt | 4 +--- 1 file changed, 1 insertion(+), 3 deletions(-) diff --git a/TTD.txt b/TTD.txt index 59e8a40a..c542c623 100644 --- a/TTD.txt +++ b/TTD.txt @@ -127,8 +127,6 @@ R113 :::::::::::: QUEUE ::::::::::::: ECS params for new fluids -Methanol - visc: Xiang Ethylene visc & cond: Holland 1983 Methane @@ -149,4 +147,4 @@ No Helmholtz: C4F10 (ECS) C5F12 (ECS) R245CA (ECS) -""" \ No newline at end of file +""" From dda75cf04c919da1d933173041613125db5b9b45 Mon Sep 17 00:00:00 2001 From: Jean-Julien Fleck Date: Tue, 26 Aug 2014 23:21:31 +0200 Subject: [PATCH 15/17] KSI back in place, still have to find where to set the limits properly --- wrappers/Python/CoolProp/Plots/Common.py | 31 ++++++++++++++++-------- wrappers/Python/CoolProp/Plots/Plots.py | 2 +- 2 files changed, 22 insertions(+), 11 deletions(-) diff --git a/wrappers/Python/CoolProp/Plots/Common.py b/wrappers/Python/CoolProp/Plots/Common.py index a640cab4..c681285d 100644 --- a/wrappers/Python/CoolProp/Plots/Common.py +++ b/wrappers/Python/CoolProp/Plots/Common.py @@ -11,12 +11,20 @@ SMALL = 1E-5 class BasePlot(object): #TODO: Simplify / Consolidate dictionary maps - AXIS_LABELS = {'T': ["Temperature", r"[K]"], - 'P': ["Pressure", r"[Pa]"], - 'S': ["Entropy", r"[J/kg/K]"], - 'H': ["Enthalpy", r"[J/kg]"], - 'U': ["Internal Energy", r"[J/kg]"], - 'D': ["Density", r"[kg/m$^3$]"] + AXIS_LABELS = {'KSI': {'T': ["Temperature", r"[K]"], + 'P': ["Pressure", r"[kPa]"], + 'S': ["Entropy", r"[kJ/kg/K]"], + 'H': ["Enthalpy", r"[kJ/kg]"], + 'U': ["Internal Energy", r"[kJ/kg]"], + 'D': ["Density", r"[kg/m$^3$]"] + }, + 'SI': {'T': ["Temperature", r"[K]"], + 'P': ["Pressure", r"[Pa]"], + 'S': ["Entropy", r"[J/kg/K]"], + 'H': ["Enthalpy", r"[J/kg]"], + 'U': ["Internal Energy", r"[J/kg]"], + 'D': ["Density", r"[kg/m$^3$]"] + } } COLOR_MAP = {'T': 'Darkred', @@ -158,6 +166,8 @@ class BasePlot(object): the keys 'kmax', 'label' and 'opts', those can be used for plotting as well. """ + print(self) + print(self.unit_system) if not kind.upper() in ['T', 'P']: raise ValueError(''.join(["Invalid input for determining the ", "saturation lines... Expected either ", @@ -180,6 +190,7 @@ class BasePlot(object): kind, sat_mesh) if self.unit_system == 'KSI': + print("got here") x_vals *= self.KSI_SCALE_FACTOR[self.graph_type[1]] y_vals *= self.KSI_SCALE_FACTOR[self.graph_type[0]] @@ -236,13 +247,13 @@ class BasePlot(object): tl_str = "%s - %s Graph for %s" if not self.axis.get_title(): - self.axis.set_title(tl_str % (self.AXIS_LABELS[y_axis_id][0], - self.AXIS_LABELS[x_axis_id][0], + self.axis.set_title(tl_str % (self.AXIS_LABELS[self.unit_system][y_axis_id][0], + self.AXIS_LABELS[self.unit_system][x_axis_id][0], filter_fluid_ref(self.fluid_ref))) if not self.axis.get_xlabel(): - self.axis.set_xlabel(' '.join(self.AXIS_LABELS[x_axis_id])) + self.axis.set_xlabel(' '.join(self.AXIS_LABELS[self.unit_system][x_axis_id])) if not self.axis.get_ylabel(): - self.axis.set_ylabel(' '.join(self.AXIS_LABELS[y_axis_id])) + self.axis.set_ylabel(' '.join(self.AXIS_LABELS[self.unit_system][y_axis_id])) def _draw_graph(self): return diff --git a/wrappers/Python/CoolProp/Plots/Plots.py b/wrappers/Python/CoolProp/Plots/Plots.py index 7ca4f910..461d8bf7 100644 --- a/wrappers/Python/CoolProp/Plots/Plots.py +++ b/wrappers/Python/CoolProp/Plots/Plots.py @@ -485,7 +485,7 @@ class PropsPlot(BasePlot): def draw_isolines(self, iso_type, iso_range, num=10, rounding=False): iso_lines = IsoLines(self.fluid_ref, self.graph_type, - iso_type, + iso_type, unit_system = self.unit_system, axis=self.axis) iso_lines.draw_isolines(iso_range, num, rounding) From 5d24d83ad6f4dced3868e30703c55a73807a2388 Mon Sep 17 00:00:00 2001 From: Jean-Julien Fleck Date: Tue, 26 Aug 2014 23:42:18 +0200 Subject: [PATCH 16/17] Limits correction back in place with KSI unit system --- wrappers/Python/CoolProp/Plots/Common.py | 3 --- wrappers/Python/CoolProp/Plots/Plots.py | 5 +++++ 2 files changed, 5 insertions(+), 3 deletions(-) diff --git a/wrappers/Python/CoolProp/Plots/Common.py b/wrappers/Python/CoolProp/Plots/Common.py index c681285d..1376e0b8 100644 --- a/wrappers/Python/CoolProp/Plots/Common.py +++ b/wrappers/Python/CoolProp/Plots/Common.py @@ -166,8 +166,6 @@ class BasePlot(object): the keys 'kmax', 'label' and 'opts', those can be used for plotting as well. """ - print(self) - print(self.unit_system) if not kind.upper() in ['T', 'P']: raise ValueError(''.join(["Invalid input for determining the ", "saturation lines... Expected either ", @@ -190,7 +188,6 @@ class BasePlot(object): kind, sat_mesh) if self.unit_system == 'KSI': - print("got here") x_vals *= self.KSI_SCALE_FACTOR[self.graph_type[1]] y_vals *= self.KSI_SCALE_FACTOR[self.graph_type[0]] diff --git a/wrappers/Python/CoolProp/Plots/Plots.py b/wrappers/Python/CoolProp/Plots/Plots.py index 461d8bf7..ea998e07 100644 --- a/wrappers/Python/CoolProp/Plots/Plots.py +++ b/wrappers/Python/CoolProp/Plots/Plots.py @@ -247,6 +247,11 @@ class IsoLines(BasePlot): limits[0][1] = min([limits[0][1], max(self.axis.get_xlim())]) limits[1][0] = max([limits[1][0], min(self.axis.get_ylim())]) limits[1][1] = min([limits[1][1], max(self.axis.get_ylim())]) + + # Limits correction in case of KSI unit_system + if self.unit_system == 'KSI': + limits[0] = [l*self.KSI_SCALE_FACTOR[self.graph_type[1]] for l in limits[0]] + limits[1] = [l*self.KSI_SCALE_FACTOR[self.graph_type[0]] for l in limits[1]] self.axis.set_xlim(limits[0]) self.axis.set_ylim(limits[1]) From 058bfd79c4a63f5694e1d564fd2b134b32fcbbb7 Mon Sep 17 00:00:00 2001 From: Jean-Julien Fleck Date: Wed, 27 Aug 2014 00:05:15 +0200 Subject: [PATCH 17/17] Forwarded *args and **kwargs from Ts, Ph, ... to PropsPlot in order to be able to use unit_system='KSI' --- wrappers/Python/CoolProp/Plots/Plots.py | 14 +++++++------- 1 file changed, 7 insertions(+), 7 deletions(-) diff --git a/wrappers/Python/CoolProp/Plots/Plots.py b/wrappers/Python/CoolProp/Plots/Plots.py index ea998e07..92186bd3 100644 --- a/wrappers/Python/CoolProp/Plots/Plots.py +++ b/wrappers/Python/CoolProp/Plots/Plots.py @@ -531,7 +531,7 @@ def Ts(Ref, Tmin=None, Tmax=None, show=False, axis=None, *args, **kwargs): >>> ax = fig.gca() >>> Ts('R290', show=True, axis=ax) """ - plt = PropsPlot(Ref, 'Ts', smin=Tmin, smax=Tmax, axis=axis) + plt = PropsPlot(Ref, 'Ts', smin=Tmin, smax=Tmax, axis=axis, *args, **kwargs) plt._draw_graph() if show: plt.show() @@ -576,7 +576,7 @@ def Ph(Ref, Tmin=None, Tmax=None, show=False, axis=None, *args, **kwargs): >>> ax = fig.gca() >>> Ph('R290', show=True, axis=ax) """ - plt = PropsPlot(Ref, 'Ph', smin=Tmin, smax=Tmax, axis=axis) + plt = PropsPlot(Ref, 'Ph', smin=Tmin, smax=Tmax, axis=axis, *args, **kwargs) if show: plt.show() else: @@ -620,7 +620,7 @@ def Ps(Ref, Tmin=None, Tmax=None, show=False, axis=None, *args, **kwargs): >>> ax = fig.gca() >>> Ps('R290', show=True, axis=ax) """ - plt = PropsPlot(Ref, 'Ps', smin=Tmin, smax=Tmax, axis=axis) + plt = PropsPlot(Ref, 'Ps', smin=Tmin, smax=Tmax, axis=axis, *args, **kwargs) if show: plt.show() else: @@ -663,7 +663,7 @@ def PT(Ref, Tmin=None, Tmax=None, show=False, axis=None, *args, **kwargs): >>> ax = fig.gca() >>> PT('R290', show=True, axis=ax) """ - plt = PropsPlot(Ref, 'PT', smin=Tmin, smax=Tmax, axis=axis) + plt = PropsPlot(Ref, 'PT', smin=Tmin, smax=Tmax, axis=axis, *args, **kwargs) if show: plt.show() else: @@ -706,7 +706,7 @@ def Prho(Ref, Tmin=None, Tmax=None, show=False, axis=None, *args, **kwargs): >>> ax = fig.gca() >>> Prho('R290', show=True, axis=ax) """ - plt = PropsPlot(Ref, 'PD', smin=Tmin, smax=Tmax, axis=axis) + plt = PropsPlot(Ref, 'PD', smin=Tmin, smax=Tmax, axis=axis, *args, **kwargs) if show: plt.show() else: @@ -749,7 +749,7 @@ def Trho(Ref, Tmin=None, Tmax=None, show=False, axis=None, *args, **kwargs): >>> ax = fig.gca() >>> Trho('R290', show=True, axis=ax) """ - plt = PropsPlot(Ref, 'TD', smin=Tmin, smax=Tmax, axis=axis) + plt = PropsPlot(Ref, 'TD', smin=Tmin, smax=Tmax, axis=axis, *args, **kwargs) if show: plt.show() else: @@ -792,7 +792,7 @@ def hs(Ref, Tmin=None, Tmax=None, show=False, axis=None, *args, **kwargs): >>> ax = fig.gca() >>> hs('R290', show=True, axis=ax) """ - plt = PropsPlot(Ref, 'hs', smin=Tmin, smax=Tmax, axis=axis) + plt = PropsPlot(Ref, 'hs', smin=Tmin, smax=Tmax, axis=axis, *args, **kwargs) if show: plt.show() else: