From c2a783db4ceb64231bc7acc7a556f285c3c531c7 Mon Sep 17 00:00:00 2001 From: AlbertoCuadra Date: Thu, 22 Feb 2024 09:38:11 +0100 Subject: [PATCH 1/6] Add: validation humid air --- .../tests/carranza2014/humid_air.csv | 19 + .../tests/carranza2014/humid_air.fig | Bin 0 -> 33982 bytes .../tests/carranza2014/humid_air.mat | Bin 0 -> 2031 bytes .../tests/carranza2014/humid_air.pdf | Bin 0 -> 39576 bytes .../tests/carranza2014/humid_air.png | Bin 0 -> 65403 bytes .../tests/carranza2014/humid_air.svg | 2529 +++++++++++++++++ 6 files changed, 2548 insertions(+) create mode 100644 validations/other stuff/tests/carranza2014/humid_air.csv create mode 100644 validations/other stuff/tests/carranza2014/humid_air.fig create mode 100644 validations/other stuff/tests/carranza2014/humid_air.mat create mode 100644 validations/other stuff/tests/carranza2014/humid_air.pdf create mode 100644 validations/other stuff/tests/carranza2014/humid_air.png create mode 100644 validations/other 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+ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + From bdaaeeb86fb41c7c60f3e6a78517687a8e6e9cb5 Mon Sep 17 00:00:00 2001 From: AlbertoCuadra Date: Sat, 23 Mar 2024 11:24:50 +0100 Subject: [PATCH 2/6] Update: include cached thermodynamic functions --- utils/databases/species_DeT.m | 26 +++++++++++++++++++++----- utils/databases/species_DhT.m | 28 ++++++++++++++++++++++------ utils/databases/species_cP.m | 26 +++++++++++++++++++++----- utils/databases/species_cV.m | 9 ++++----- utils/databases/species_e0.m | 9 ++++++--- utils/databases/species_g0.m | 29 +++++++++++++++++++++++------ utils/databases/species_h0.m | 26 +++++++++++++++++++++----- utils/databases/species_s0.m | 26 +++++++++++++++++++++----- 8 files changed, 139 insertions(+), 40 deletions(-) diff --git a/utils/databases/species_DeT.m b/utils/databases/species_DeT.m index 724031567..7d7baeace 100644 --- a/utils/databases/species_DeT.m +++ b/utils/databases/species_DeT.m @@ -13,10 +13,26 @@ % Example: % DeT = species_DeT('H2O', 300, DB) - try - DeT = DB.(species).DeTcurve(T) / 1000; - catch - DeT = 0; % cryogenic species + persistent cachedSpecies; + persistent cachedDETcurves; + + if isempty(cachedSpecies) + cachedSpecies = {}; + cachedDETcurves = {}; end - + + % Check if species data is already cached + idx = find(strcmp(cachedSpecies, species), 1); + if isempty(idx) + % Load species data and cache it + DeTcurve = DB.(species).DeTcurve; + cachedSpecies{end+1} = species; + cachedDETcurves{end+1} = DeTcurve; + else + % Retrieve cached data + DeTcurve = cachedDETcurves{idx}; + end + + % Compute thermal internal energy [kJ/mol] + DeT = DeTcurve(T) / 1000; end diff --git a/utils/databases/species_DhT.m b/utils/databases/species_DhT.m index a3d43a427..3da378ed8 100644 --- a/utils/databases/species_DhT.m +++ b/utils/databases/species_DhT.m @@ -13,10 +13,26 @@ % Example: % DhT = species_DhT('H2O', 300, DB) - try - DhT = DB.(species).DhTcurve(T) / 1000; - catch - DhT = 0; % cryogenic species + persistent cachedSpecies; + persistent cachedDHTcurves; + + if isempty(cachedSpecies) + cachedSpecies = {}; + cachedDHTcurves = {}; end - -end + + % Check if species data is already cached + idx = find(strcmp(cachedSpecies, species), 1); + if isempty(idx) + % Load species data and cache it + DhTcurve = DB.(species).DhTcurve; + cachedSpecies{end+1} = species; + cachedDHTcurves{end+1} = DhTcurve; + else + % Retrieve cached data + DhTcurve = cachedDHTcurves{idx}; + end + + % Compute thermal enthalpy [kJ/mol] + DhT = DhTcurve(T) / 1000; +end \ No newline at end of file diff --git a/utils/databases/species_cP.m b/utils/databases/species_cP.m index c3412f440..60afdaf53 100644 --- a/utils/databases/species_cP.m +++ b/utils/databases/species_cP.m @@ -14,10 +14,26 @@ % Example: % cP = species_cP('H2O', 300, DB) - try - cP = DB.(species).cPcurve(T); - catch - cP = 0; % cryogenic species + persistent cachedSpecies; + persistent cachedCPcurves; + + if isempty(cachedSpecies) + cachedSpecies = {}; + cachedCPcurves = {}; end - + + % Check if species data is already cached + idx = find(strcmp(cachedSpecies, species), 1); + if isempty(idx) + % Load species data and cache it + cPcurve = DB.(species).cPcurve; + cachedSpecies{end+1} = species; + cachedCPcurves{end+1} = cPcurve; + else + % Retrieve cached data + cPcurve = cachedCPcurves{idx}; + end + + % Compute specific heat at constant pressure [J/(mol-K)] + cP = cPcurve(T); end diff --git a/utils/databases/species_cV.m b/utils/databases/species_cV.m index a6ce7a07e..dbca1df3a 100644 --- a/utils/databases/species_cV.m +++ b/utils/databases/species_cV.m @@ -14,10 +14,9 @@ % Example: % cV = species_cV('H2O', 300, DB) - try - cV = DB.(species).cPcurve(T) - 8.31446261815324; - catch - cV = 0; % cryogenic species - end + % Universal gas constant [J/(mol-K)] + R0 = 8.31446261815324; + % Compute specific heat at constant volume [J/(mol-K)] + cV = species_cP(species, T, DB) - R0; end diff --git a/utils/databases/species_e0.m b/utils/databases/species_e0.m index 73fd0e7d2..c3c38b4b7 100644 --- a/utils/databases/species_e0.m +++ b/utils/databases/species_e0.m @@ -15,10 +15,13 @@ % Specific value moles = 1; - % Universal gas constant - R0 = 8.31446261815324; % [J/(K mol)]. + + % Universal gas constant [J/(K mol)] + R0 = 8.31446261815324; + % Enthalpy [J/mol] h0 = species_h0(species, T, DB) * 1e3; + % Internal energy [kJ/mol] - e0 = (h0 - moles * R0 * T)/ 1000; % [kJ/mol] + e0 = (h0 - moles * R0 * T)/ 1000; end \ No newline at end of file diff --git a/utils/databases/species_g0.m b/utils/databases/species_g0.m index f7411d7fa..ad1f06554 100644 --- a/utils/databases/species_g0.m +++ b/utils/databases/species_g0.m @@ -12,11 +12,28 @@ % % Example: % g0 = species_g0('H2O', 298.15, DB) - - try - g0 = DB.(species).g0curve(T) / 1000; - catch - g0 = DB.(species).g0 / 1000; % cryogenic species + + persistent cachedSpecies; + persistent cachedG0curves; + + if isempty(cachedSpecies) + cachedSpecies = {}; + cachedG0curves = {}; end - + + % Check if species data is already cached + idx = find(strcmp(cachedSpecies, species), 1); + if isempty(idx) + % Load species data and cache it + g0curve = DB.(species).g0curve; + cachedSpecies{end+1} = species; + cachedG0curves{end+1} = g0curve; + else + % Retrieve cached data + g0curve = cachedG0curves{idx}; + end + + % Compute Gibbs energy [kJ/mol] + g0 = g0curve(T) / 1000; end + diff --git a/utils/databases/species_h0.m b/utils/databases/species_h0.m index 884021df8..c04e665f2 100644 --- a/utils/databases/species_h0.m +++ b/utils/databases/species_h0.m @@ -13,10 +13,26 @@ % Example: % h0 = species_h0('H2O', 300, DB) - try - h0 = DB.(species).h0curve(T) / 1000; - catch - h0 = DB.(species).h0 / 1000; % cryogenic species + persistent cachedSpecies; + persistent cachedH0curves; + + if isempty(cachedSpecies) + cachedSpecies = {}; + cachedH0curves = {}; end - + + % Check if species data is already cached + idx = find(strcmp(cachedSpecies, species), 1); + if isempty(idx) + % Load species data and cache it + h0curve = DB.(species).h0curve; + cachedSpecies{end+1} = species; + cachedH0curves{end+1} = h0curve; + else + % Retrieve cached data + h0curve = cachedH0curves{idx}; + end + + % Compute enthalpy [kJ/mol] + h0 = h0curve(T) / 1000; end diff --git a/utils/databases/species_s0.m b/utils/databases/species_s0.m index ee0b81ba1..b21057b3a 100644 --- a/utils/databases/species_s0.m +++ b/utils/databases/species_s0.m @@ -13,10 +13,26 @@ % Example: % s0 = species_s0('H2O', 300, DB) - try - s0 = DB.(species).s0curve(T) / 1000; - catch - s0 = 0; % cryogenic species + persistent cachedSpecies; + persistent cachedS0curves; + + if isempty(cachedSpecies) + cachedSpecies = {}; + cachedS0curves = {}; end - + + % Check if species data is already cached + idx = find(strcmp(cachedSpecies, species), 1); + if isempty(idx) + % Load species data and cache it + s0curve = DB.(species).s0curve; + cachedSpecies{end+1} = species; + cachedS0curves{end+1} = s0curve; + else + % Retrieve cached data + s0curve = cachedS0curves{idx}; + end + + % Compute entropy [kJ/(mol-K)] + s0 = s0curve(T) / 1000; end From 63e1e8d14d7986cc3f87662dc11ef95ce27cb37c Mon Sep 17 00:00:00 2001 From: Alberto Cuadra-Lara Date: Fri, 29 Mar 2024 13:07:19 +0100 Subject: [PATCH 3/6] Update: rename repository --- .github/workflows/submodule_update_parent.yml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/.github/workflows/submodule_update_parent.yml b/.github/workflows/submodule_update_parent.yml index abf82e5d1..95249d2ed 100644 --- a/.github/workflows/submodule_update_parent.yml +++ b/.github/workflows/submodule_update_parent.yml @@ -15,7 +15,7 @@ jobs: steps: - uses: actions/checkout@v2 with: - repository: AlbertoCuadra/combustion_toolbox_website + repository: CombustionToolbox/combustion_toolbox_website token: ${{ secrets.CI_TOKEN }} submodules: true From 37aeae89b2f9070993493ae11143c594009af191 Mon Sep 17 00:00:00 2001 From: Alberto Cuadra-Lara Date: Fri, 29 Mar 2024 14:21:36 +0100 Subject: [PATCH 4/6] Solve: error logo size --- README.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/README.md b/README.md index 9fb37489d..9e248e12e 100644 --- a/README.md +++ b/README.md @@ -1,4 +1,4 @@ -Combustion Toolbox +Combustion Toolbox ## Combustion Toolbox: A MATLAB-GUI based open-source tool for solving gaseous combustion problems From f853155effb0ac4e4891deecbfc81a5bf54485ad Mon Sep 17 00:00:00 2001 From: Alberto Cuadra-Lara Date: Fri, 5 Apr 2024 11:40:21 +0200 Subject: [PATCH 5/6] Update README.md --- README.md | 26 +++++++++++++------------- 1 file changed, 13 insertions(+), 13 deletions(-) diff --git a/README.md b/README.md index 9e248e12e..c09d053c5 100644 --- a/README.md +++ b/README.md @@ -114,21 +114,21 @@ See also the list of [contributors](https://github.com/AlbertoCuadra/combustion_ ```bibtex @misc{combustiontoolbox, - author = "Cuadra, A and Huete, C and Vera, M", - title = "Combustion Toolbox: A MATLAB-GUI based open-source tool for solving gaseous combustion problems", - year = 2024, - note = "Version 1.0.5", - doi = {https://doi.org/10.5281/zenodo.5554911} + author = "Cuadra, A. and Huete, C. and Vera, M.", + title = "Combustion Toolbox: A MATLAB-GUI based open-source tool for solving gaseous combustion problems", + year = 2024, + note = "Version 1.0.5", + doi = {https://doi.org/10.5281/zenodo.5554911} } @phdthesis{cuadra2023_thesis, - title = {Development of a wide-spectrum thermochemical code with application to planar reacting and non-reacting shocks}, - author = {Cuadra, A.}, - year = 2023, - month = {May}, - address = {Madrid, Spain}, - note = {Available at \url{http://hdl.handle.net/10016/38179}}, - school = {Universidad Carlos III de Madrid}, - type = {PhD thesis} + title = {Development of a wide-spectrum thermochemical code with application to planar reacting and non-reacting shocks}, + author = {Cuadra, A.}, + year = 2023, + month = {May}, + address = {Madrid, Spain}, + note = {Available at \url{http://hdl.handle.net/10016/38179}}, + school = {Universidad Carlos III de Madrid}, + type = {PhD thesis} } ``` From bc2abef00e2a4884d9638f2865c6f3b7f313df09 Mon Sep 17 00:00:00 2001 From: Alberto Cuadra-Lara Date: Fri, 5 Apr 2024 17:37:51 +0200 Subject: [PATCH 6/6] Update CITATION.cff --- CITATION.cff | 1 + 1 file changed, 1 insertion(+) diff --git a/CITATION.cff b/CITATION.cff index 2ff1c20dc..dad76645e 100644 --- a/CITATION.cff +++ b/CITATION.cff @@ -9,6 +9,7 @@ version: 1.0.5 doi: 10.5281/zenodo.5554911 date-released: 2024-01-29 url: "https://combustion-toolbox-website.readthedocs.io" +repository-code: "https://github.com/CombustionToolbox/combustion_toolbox" abstract: " [Website](https://combustion-toolbox-website.readthedocs.io)