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longemen3000 committed Sep 28, 2024
2 parents 800bd5b + db772db commit 6b3a593
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Showing 12 changed files with 55 additions and 58 deletions.
Original file line number Diff line number Diff line change
Expand Up @@ -2,7 +2,7 @@ Clapeyron Database File,,,,,,,,
PCSAFT Assoc Parameters,,,,,,,,
species1,site1,species2,site2,epsilon_assoc,bondvol
CH=O,H,CH=O,e,2280.0366222356424,0.009583
>C=O,H,>C=O,e,2054.866269673726,0.009583
>C=O~|~C=O,H,>C=O~|~C=O,e,2054.866269673726,0.009583
OCH3,H,OCH3,e,1317.5736596522224,0.009583
OCH2,H,OCH2,e,1317.5736596522224,0.009583
HCOO,H,HCOO,e,790.1460808205942,0.009583
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Original file line number Diff line number Diff line change
Expand Up @@ -16,7 +16,7 @@ CH_pent~|~cCH_pent,13.01854,0.69343,1.2894,140.69,0.0,0,0,10.1007/s10765-023-032
CH_arom~|~aCH,13.01854,0.88259,2.9475,156.51,0.0,0,0,10.1007/s10765-023-03290-3
C_arom~|~aC,12.0107,0.77531,1.6719,178.81,0.0,0,0,10.1007/s10765-023-03290-3
CH=O,29.01754,1.1889,3.2948,316.91,2.4126,0,1,10.1007/s10765-023-03290-3
>C=O,28.0097,1.1889,3.1026,280.43,3.4167,0,1,10.1007/s10765-023-03290-3
>C=O~|~C=O,28.0097,1.1889,3.1026,280.43,3.4167,0,1,10.1007/s10765-023-03290-3
OCH3,31.03322,1.1907,2.7795,284.91,0,0,1,10.1007/s10765-023-03290-3
OCH2,30.02538,1.1817,3.009,203.11,2.6945,0,1,10.1007/s10765-023-03290-3
HCOO,45.01654,1.2789,3.373,307.44,2.6808,0,2,10.1007/s10765-023-03290-3
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40 changes: 20 additions & 20 deletions database/SAFT/PCSAFT/gcPCPSAFT/hetero/HeterogcPCPSAFT_unlike.csv
Original file line number Diff line number Diff line change
Expand Up @@ -14,10 +14,10 @@ CH2,CH_arom~|~aCH,-0.005376660474268035,10.1007/s10765-023-03290-3
>CH~|~CH,C_arom~|~aC,-0.4536159179058391,10.1007/s10765-023-03290-3
CH3,CH=O,0.07114002498453002,10.1007/s10765-023-03290-3
CH2,CH=O,0.05810424929073859,10.1007/s10765-023-03290-3
>C=O,CH3,0.06638452980811302,10.1007/s10765-023-03290-3
>C=O,CH2,0.053964852486994674,10.1007/s10765-023-03290-3
>C=O,>CH~|~CH,-0.01886821792425231,10.1007/s10765-023-03290-3
>C<~|~C,>C=O,0,10.1007/s10765-023-03290-3
>C=O~|~C=O,CH3,0.06638452980811302,10.1007/s10765-023-03290-3
>C=O~|~C=O,CH2,0.053964852486994674,10.1007/s10765-023-03290-3
>C=O~|~C=O,>CH~|~CH,-0.01886821792425231,10.1007/s10765-023-03290-3
>C<~|~C,>C=O~|~C=O,0,10.1007/s10765-023-03290-3
CH3,OCH2,0.0040270442665658705,10.1007/s10765-023-03290-3
>CH~|~CH,OCH3,-0.217389127174595,10.1007/s10765-023-03290-3
CH2,OCH2,-0.015001007000489858,10.1007/s10765-023-03290-3
Expand All @@ -41,9 +41,9 @@ CH2,COO,0.04126150329459275,10.1007/s10765-023-03290-3
=CH~|~CH=,CH_arom~|~aCH,0.008744506522926979,10.1007/s10765-023-03290-3
=C<~|~C=,CH_arom~|~aCH,-0.15988275905975652,10.1007/s10765-023-03290-3
=CH2~|~CH2=,CH_arom~|~aCH,0.039714702972518216,10.1007/s10765-023-03290-3
=C<~|~C=,>C=O,-0.23303936628601363,10.1007/s10765-023-03290-3
=CH2~|~CH2=,>C=O,0.0451103450863995,10.1007/s10765-023-03290-3
=CH~|~CH=,>C=O,0.0028282796817093118,10.1007/s10765-023-03290-3
=C<~|~C=,>C=O~|~C=O,-0.23303936628601363,10.1007/s10765-023-03290-3
=CH2~|~CH2=,>C=O~|~C=O,0.0451103450863995,10.1007/s10765-023-03290-3
=CH~|~CH=,>C=O~|~C=O,0.0028282796817093118,10.1007/s10765-023-03290-3
=CH2~|~CH2=,OCH3,-0.017336555493171858,10.1007/s10765-023-03290-3
=CH~|~CH=,OCH2,0.028713611730255537,10.1007/s10765-023-03290-3
=C<~|~C=,OCH2,-0.040576835006969125,10.1007/s10765-023-03290-3
Expand All @@ -58,7 +58,7 @@ CH2,COO,0.04126150329459275,10.1007/s10765-023-03290-3
CH_arom~|~aCH,C≡CH~|~CH#C,-0.04955767628386867,10.1007/s10765-023-03290-3
C_arom~|~aC,C≡CH~|~CH#C,-0.04953394596854589,10.1007/s10765-023-03290-3
CH=O,C≡CH~|~CH#C,-0.33948211818518437,10.1007/s10765-023-03290-3
>C=O,C≡CH~|~CH#C,-0.3657376137845608,10.1007/s10765-023-03290-3
>C=O~|~C=O,C≡CH~|~CH#C,-0.3657376137845608,10.1007/s10765-023-03290-3
C≡CH~|~CH#C,OCH2,-0.3344648388007797,10.1007/s10765-023-03290-3
C≡CH~|~CH#C,OCH3,-0.38290586519600983,10.1007/s10765-023-03290-3
C≡CH~|~CH#C,HCOO,-0.24272079727170506,10.1007/s10765-023-03290-3
Expand All @@ -77,8 +77,8 @@ CH2_pent~|~cCH2_pent,C_arom~|~aC,0.03812116290565423,10.1007/s10765-023-03290-3
CH2_pent~|~cCH2_pent,CH_arom~|~aCH,0.004966663517893626,10.1007/s10765-023-03290-3
CH=O,C_arom~|~aC,-0.025044677100339502,10.1007/s10765-023-03290-3
CH=O,CH_arom~|~aCH,-0.06309730593619743,10.1007/s10765-023-03290-3
>C=O,CH_arom~|~aCH,-0.1106708081496441,10.1007/s10765-023-03290-3
>C=O,C_arom~|~aC,-0.04717854573415193,10.1007/s10765-023-03290-3
>C=O~|~C=O,CH_arom~|~aCH,-0.1106708081496441,10.1007/s10765-023-03290-3
>C=O~|~C=O,C_arom~|~aC,-0.04717854573415193,10.1007/s10765-023-03290-3
C_arom~|~aC,OCH3,-0.14006221692396298,10.1007/s10765-023-03290-3
CH_arom~|~aCH,OCH2,-0.11744345395130776,10.1007/s10765-023-03290-3
CH_arom~|~aCH,OCH3,-0.06563917699710337,10.1007/s10765-023-03290-3
Expand All @@ -93,8 +93,8 @@ C_arom~|~aC,NH2,0.4535791221221567,10.1007/s10765-023-03290-3
CH_arom~|~aCH,NH2,-0.06290638692043257,10.1007/s10765-023-03290-3
CH2_hex~|~cCH2_hex,CH=O,0.09047030071006708,10.1007/s10765-023-03290-3
CH=O,CH_hex~|~cCH_hex,-0.14747598417210014,10.1007/s10765-023-03290-3
>C=O,CH_hex~|~cCH_hex,0.0676825668907787,10.1007/s10765-023-03290-3
>C=O,CH2_hex~|~cCH2_hex,0.09082375748804353,10.1007/s10765-023-03290-3
>C=O~|~C=O,CH_hex~|~cCH_hex,0.0676825668907787,10.1007/s10765-023-03290-3
>C=O~|~C=O,CH2_hex~|~cCH2_hex,0.09082375748804353,10.1007/s10765-023-03290-3
CH2_hex~|~cCH2_hex,OCH3,0.042823701076275526,10.1007/s10765-023-03290-3
CH_hex~|~cCH_hex,OCH2,-0.0936451919984422,10.1007/s10765-023-03290-3
CH_hex~|~cCH_hex,OCH3,0.12111386208387202,10.1007/s10765-023-03290-3
Expand All @@ -108,18 +108,18 @@ CH2_pent~|~cCH2_pent,COO,0.05124310486288829,10.1007/s10765-023-03290-3
CH_pent~|~cCH_pent,OH,0.11518421254437769,10.1007/s10765-023-03290-3
CH2_pent~|~cCH2_pent,OH,0.08215868571093943,10.1007/s10765-023-03290-3
CH=O,CH=O,-0.1570556622280003,10.1007/s10765-023-03290-3
>C=O,CH=O,-0.16452206370456918,10.1007/s10765-023-03290-3
>C=O~|~C=O,CH=O,-0.16452206370456918,10.1007/s10765-023-03290-3
CH=O,OCH2,0.0027095251191336708,10.1007/s10765-023-03290-3
CH=O,HCOO,-0.07673278642721204,10.1007/s10765-023-03290-3
CH=O,COO,-0.16365969940991995,10.1007/s10765-023-03290-3
CH=O,OH,-0.12245349842770242,10.1007/s10765-023-03290-3
>C=O,>C=O,-0.17931771307891634,10.1007/s10765-023-03290-3
>C=O,OCH3,-0.20038719736411056,10.1007/s10765-023-03290-3
>C=O,OCH2,0.04468736703539099,10.1007/s10765-023-03290-3
>C=O,HCOO,-0.13541978245760022,10.1007/s10765-023-03290-3
>C=O,COO,-0.14605212162381323,10.1007/s10765-023-03290-3
>C=O,OH,-0.1392769563372809,10.1007/s10765-023-03290-3
>C=O,NH2,-0.371931948310995,10.1007/s10765-023-03290-3
>C=O~|~C=O,>C=O~|~C=O,-0.17931771307891634,10.1007/s10765-023-03290-3
>C=O~|~C=O,OCH3,-0.20038719736411056,10.1007/s10765-023-03290-3
>C=O~|~C=O,OCH2,0.04468736703539099,10.1007/s10765-023-03290-3
>C=O~|~C=O,HCOO,-0.13541978245760022,10.1007/s10765-023-03290-3
>C=O~|~C=O,COO,-0.14605212162381323,10.1007/s10765-023-03290-3
>C=O~|~C=O,OH,-0.1392769563372809,10.1007/s10765-023-03290-3
>C=O~|~C=O,NH2,-0.371931948310995,10.1007/s10765-023-03290-3
OCH2,OCH2,0.09662571077941844,10.1007/s10765-023-03290-3
OCH2,OCH3,-0.2812620283200189,10.1007/s10765-023-03290-3
OCH3,OCH3,-0.13909723652059505,10.1007/s10765-023-03290-3
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Original file line number Diff line number Diff line change
Expand Up @@ -2,7 +2,7 @@ Clapeyron Database File
homo-gc-PCPSAFT Assoc Parameters
species1,site1,species2,site2,epsilon_assoc,bondvol
CH=O,H,CH=O,e,2508.568605957324,0.006825
>C=O,H,>C=O,e,2109.2307097378066,0.006825
>C=O~|~C=O,H,>C=O~|~C=O,e,2109.2307097378066,0.006825
OCH3,H,OCH3,e,1608.5313444575868,0.006825
OCH2,H,OCH2,e,1608.5313444575868,0.006825
HCOO,H,HCOO,e,1162.0362135393,0.006825
Expand Down
2 changes: 1 addition & 1 deletion database/SAFT/PCSAFT/gcPCPSAFT/homo/HomogcPCPSAFT_like.csv
Original file line number Diff line number Diff line change
Expand Up @@ -16,7 +16,7 @@ CH_pent~|~cCH_pent,13.01854,0.03314,7.719,1297.7,0.0,0,0,10.1007/s10765-023-0329
CH_arom~|~aCH,13.01854,0.42335,3.727,274.41,0.0,0,0,10.1007/s10765-023-03290-3
C_arom~|~aC,12.0107,0.15371,3.9622,527.2,0.0,0,0,10.1007/s10765-023-03290-3
CH=O,29.01754,1.5774,2.8035,242.99,2.4556,0,1,10.1007/s10765-023-03290-3
C=O,28.0097,1.223,2.8124,249.04,3.2432,0,1,10.1007/s10765-023-03290-3
>C=O~|~C=O,28.0097,1.223,2.8124,249.04,3.2432,0,1,10.1007/s10765-023-03290-3
OCH3,31.03322,1.6539,3.0697,196.05,1.3866,0,1,10.1007/s10765-023-03290-3
OCH2,30.02538,1.1349,3.2037,187.13,2.744,0,1,10.1007/s10765-023-03290-3
HCOO,45.01654,1.7525,2.9043,229.63,2.7916,0,2,10.1007/s10765-023-03290-3
Expand Down
40 changes: 20 additions & 20 deletions database/SAFT/PCSAFT/gcPCPSAFT/homo/HomogcPCPSAFT_unlike.csv
Original file line number Diff line number Diff line change
Expand Up @@ -14,10 +14,10 @@ CH2,CH_arom~|~aCH,0.0037160477290278044,10.1007/s10765-023-03290-3
>CH~|~CH,CH_arom~|~aCH,-0.0367766719917285,10.1007/s10765-023-03290-3
CH2,CH=O,0.12305359647909934,10.1007/s10765-023-03290-3
CH3,CH=O,0.10187469034871167,10.1007/s10765-023-03290-3
>C=O,CH2,0.046191053863637005,10.1007/s10765-023-03290-3
>C<~|~C,>C=O,0.24968925951397747,10.1007/s10765-023-03290-3
>C=O,CH3,0.07726883079913838,10.1007/s10765-023-03290-3
>C=O,>CH~|~CH,-0.00045276712110988197,10.1007/s10765-023-03290-3
>C=O~|~C=O,CH2,0.046191053863637005,10.1007/s10765-023-03290-3
>C<~|~C,>C=O~|~C=O,0.24968925951397747,10.1007/s10765-023-03290-3
>C=O~|~C=O,CH3,0.07726883079913838,10.1007/s10765-023-03290-3
>C=O~|~C=O,>CH~|~CH,-0.00045276712110988197,10.1007/s10765-023-03290-3
CH3,OCH3,0.08814654061145145,10.1007/s10765-023-03290-3
>C<~|~C,OCH2,0.21912131451666356,10.1007/s10765-023-03290-3
CH2,OCH3,0.037965107676736554,10.1007/s10765-023-03290-3
Expand All @@ -41,9 +41,9 @@ CH3,COO,0.04317047138905919,10.1007/s10765-023-03290-3
=CH~|~CH=,C_arom~|~aC,-0.06577965904642215,10.1007/s10765-023-03290-3
=CH2~|~CH2=,C_arom~|~aC,-0.08233061709834949,10.1007/s10765-023-03290-3
=CH~|~CH=,CH_arom~|~aCH,-0.02777227236233225,10.1007/s10765-023-03290-3
=CH2~|~CH2=,>C=O,0.01870397276432888,10.1007/s10765-023-03290-3
=CH~|~CH=,>C=O,-0.07924746094295501,10.1007/s10765-023-03290-3
=C<~|~C=,>C=O,-0.3890984918446064,10.1007/s10765-023-03290-3
=CH2~|~CH2=,>C=O~|~C=O,0.01870397276432888,10.1007/s10765-023-03290-3
=CH~|~CH=,>C=O~|~C=O,-0.07924746094295501,10.1007/s10765-023-03290-3
=C<~|~C=,>C=O~|~C=O,-0.3890984918446064,10.1007/s10765-023-03290-3
=C<~|~C=,OCH3,-0.26406219612376053,10.1007/s10765-023-03290-3
=CH~|~CH=,OCH3,0.08211035721381005,10.1007/s10765-023-03290-3
=C<~|~C=,OCH2,-0.22103185453388233,10.1007/s10765-023-03290-3
Expand All @@ -58,7 +58,7 @@ CH3,COO,0.04317047138905919,10.1007/s10765-023-03290-3
C_arom~|~aC,C≡CH~|~CH#C,-0.06996738062245225,10.1007/s10765-023-03290-3
CH_arom~|~aCH,C≡CH~|~CH#C,-0.06997816145785027,10.1007/s10765-023-03290-3
CH=O,C≡CH~|~CH#C,-0.8036084995749746,10.1007/s10765-023-03290-3
>C=O,C≡CH~|~CH#C,-0.7245616793983386,10.1007/s10765-023-03290-3
>C=O~|~C=O,C≡CH~|~CH#C,-0.7245616793983386,10.1007/s10765-023-03290-3
C≡CH~|~CH#C,OCH3,-0.6973014503254631,10.1007/s10765-023-03290-3
C≡CH~|~CH#C,OCH2,-0.7124635912791397,10.1007/s10765-023-03290-3
C≡CH~|~CH#C,HCOO,-0.6491906341393756,10.1007/s10765-023-03290-3
Expand All @@ -77,8 +77,8 @@ CH2_pent~|~cCH2_pent,C_arom~|~aC,-0.03015381422551497,10.1007/s10765-023-03290-3
CH_arom~|~aCH,CH_pent~|~cCH_pent,-0.0012280619452513725,10.1007/s10765-023-03290-3
CH=O,CH_arom~|~aCH,-0.07298686010226767,10.1007/s10765-023-03290-3
CH=O,C_arom~|~aC,-0.03477418604459808,10.1007/s10765-023-03290-3
>C=O,CH_arom~|~aCH,-0.17737259526633692,10.1007/s10765-023-03290-3
>C=O,C_arom~|~aC,-0.20890507062777522,10.1007/s10765-023-03290-3
>C=O~|~C=O,CH_arom~|~aCH,-0.17737259526633692,10.1007/s10765-023-03290-3
>C=O~|~C=O,C_arom~|~aC,-0.20890507062777522,10.1007/s10765-023-03290-3
CH_arom~|~aCH,OCH2,-0.16191196233780558,10.1007/s10765-023-03290-3
C_arom~|~aC,OCH3,-0.17062941897764702,10.1007/s10765-023-03290-3
C_arom~|~aC,OCH2,-0.1143281639880095,10.1007/s10765-023-03290-3
Expand All @@ -93,8 +93,8 @@ CH_arom~|~aCH,NH2,-0.13578656303759865,10.1007/s10765-023-03290-3
C_arom~|~aC,NH2,0.3245677118846664,10.1007/s10765-023-03290-3
CH=O,CH_hex~|~cCH_hex,0.18126133081773227,10.1007/s10765-023-03290-3
=CH2_hex~|~cCH2_hex,CH=O,0.15242908803430827,10.1007/s10765-023-03290-3
>C=O,CH_hex~|~cCH_hex,0.20715143616696932,10.1007/s10765-023-03290-3
>C=O,=CH2_hex~|~cCH2_hex,0.10105082239249716,10.1007/s10765-023-03290-3
>C=O~|~C=O,CH_hex~|~cCH_hex,0.20715143616696932,10.1007/s10765-023-03290-3
>C=O~|~C=O,=CH2_hex~|~cCH2_hex,0.10105082239249716,10.1007/s10765-023-03290-3
CH_hex~|~cCH_hex,OCH3,0.21758560291856807,10.1007/s10765-023-03290-3
=CH2_hex~|~cCH2_hex,OCH3,0.038851491234467544,10.1007/s10765-023-03290-3
CH_hex~|~cCH_hex,OCH2,0.12641108333024728,10.1007/s10765-023-03290-3
Expand All @@ -108,18 +108,18 @@ CH2_pent~|~cCH2_pent,COO,0.0591958981494055,10.1007/s10765-023-03290-3
CH_pent~|~cCH_pent,OH,0.05049513358443987,10.1007/s10765-023-03290-3
CH2_pent~|~cCH2_pent,OH,0.06365860079027498,10.1007/s10765-023-03290-3
CH=O,CH=O,-0.5266119495933976,10.1007/s10765-023-03290-3
>C=O,CH=O,-0.3487549151972326,10.1007/s10765-023-03290-3
>C=O~|~C=O,CH=O,-0.3487549151972326,10.1007/s10765-023-03290-3
CH=O,OCH2,-0.11976891848704076,10.1007/s10765-023-03290-3
CH=O,HCOO,-0.1498229825699716,10.1007/s10765-023-03290-3
CH=O,COO,-0.40091742710072753,10.1007/s10765-023-03290-3
CH=O,OH,-0.3422480720079449,10.1007/s10765-023-03290-3
>C=O,>C=O,-0.38212098851262305,10.1007/s10765-023-03290-3
>C=O,OCH3,-0.40877394973926423,10.1007/s10765-023-03290-3
>C=O,OCH2,-0.04638327660766271,10.1007/s10765-023-03290-3
>C=O,HCOO,-0.2798038394521561,10.1007/s10765-023-03290-3
>C=O,COO,-0.2616088977640821,10.1007/s10765-023-03290-3
>C=O,OH,-0.21837396735346676,10.1007/s10765-023-03290-3
>C=O,NH2,-0.6476561622488226,10.1007/s10765-023-03290-3
>C=O~|~C=O,>C=O~|~C=O,-0.38212098851262305,10.1007/s10765-023-03290-3
>C=O~|~C=O,OCH3,-0.40877394973926423,10.1007/s10765-023-03290-3
>C=O~|~C=O,OCH2,-0.04638327660766271,10.1007/s10765-023-03290-3
>C=O~|~C=O,HCOO,-0.2798038394521561,10.1007/s10765-023-03290-3
>C=O~|~C=O,COO,-0.2616088977640821,10.1007/s10765-023-03290-3
>C=O~|~C=O,OH,-0.21837396735346676,10.1007/s10765-023-03290-3
>C=O~|~C=O,NH2,-0.6476561622488226,10.1007/s10765-023-03290-3
OCH2,OCH3,-0.6939950193693598,10.1007/s10765-023-03290-3
OCH3,OCH3,-0.380719319099956,10.1007/s10765-023-03290-3
OCH2,OCH2,-0.1458789755687414,10.1007/s10765-023-03290-3
Expand Down
2 changes: 1 addition & 1 deletion database/SAFT/SAFTgammaMie/SAFTgammaMie_groups.csv
Original file line number Diff line number Diff line change
Expand Up @@ -51,4 +51,4 @@ iodide,"[""I-""=>1]"
hydroxide,"[""OH-""=>1]"
acetate,"[""CH3""=>1,""COO-""=>1]"
acetic acid,"[""CH3""=>1,""COOH""=>1]"
bicarbonate,"[""HCO3-""=>1]"
bicarbonate,"[""HCO3-""=>1]"
Original file line number Diff line number Diff line change
Expand Up @@ -61,7 +61,7 @@ function sle_solubility(model::CompositeModel,p,T,z;solute=nothing,x0=nothing)
# println(idx_sol_l)



if isnothing(x0)
x0 = x0_sle_solubility(model,p,T,z,idx_solv,idx_sol_l,ν_l,μsol)
end
Expand Down Expand Up @@ -114,4 +114,4 @@ function x0_sle_solubility(model,p,T,z,idx_solv,idx_sol_l,ν_l,μsol)
# x0 = [log10(0.5)]
# end
return x0
end
end
Original file line number Diff line number Diff line change
Expand Up @@ -19,7 +19,6 @@ function slle_solubility(model::CompositeModel,p,T)
μsol = chemical_potential(solid_r,p,T,[1.])
μ_ref = reference_chemical_potential(model.fluid,p,T,:pure)
x0 = x0_slle_solubility(model,p,T,μsol)

f!(F,x) = obj_slle_solubility(F,model.fluid,p,T,[exp10(x[1]),1-exp10(x[1])-exp10(x[2]),exp10(x[2])],[exp10(x[3]),1-exp10(x[3])-exp10(x[4]),exp10(x[4])],μsol,μ_ref)
results = Solvers.nlsolve(f!,x0,LineSearch(Newton()))
sol = exp10.(Solvers.x_sol(results))
Expand Down Expand Up @@ -60,8 +59,8 @@ function x0_slle_solubility(model,p,T,μsol)

x0[:,i] = x
end

x0 = [x0[1,1],x0[3,1],x0[1,2],x0[3,2]]

return log10.(x0)
end
end
2 changes: 1 addition & 1 deletion src/models/Activity/equations.jl
Original file line number Diff line number Diff line change
Expand Up @@ -256,4 +256,4 @@ function tpd(model::ActivityModel,p,T,z,cache = tpd_cache(model,p,T,z);reduced =
end
γϕmodel = __act_to_gammaphi(model,tpd,true)
return tpd(γϕmodel,p,T,z,cache;reduced,break_first,lle,tol_trivial,strategy,di)
end
end
4 changes: 1 addition & 3 deletions src/models/ideal/JobackIdeal.jl
Original file line number Diff line number Diff line change
Expand Up @@ -389,6 +389,4 @@ function crit_pure(model::JobackIdeal)
return (JobackGC.T_c(model),JobackGC.P_c(model),JobackGC.V_c(model))
end



export JobackIdeal, JobackGC
export JobackIdeal, JobackGC
8 changes: 4 additions & 4 deletions test/test_models_others.jl
Original file line number Diff line number Diff line change
Expand Up @@ -174,7 +174,7 @@ end

@testset "Multi-parameter models" begin
@printline
let T = 298.15, V = 1e-4,p = 1e5,z = Clapeyron.SA[1.0],z1 = Clapeyron.SA[1.0],z2 = [0.5,0.5],z3 = [0.333, 0.333,0.333];
let T = 298.15, V = 1e-4,p = 1e5,z = Clapeyron.SA[1.0],z1 = Clapeyron.SA[1.0],z2 = [0.5,0.5],z3 = [0.333, 0.333,0.333];
#warning, we are in the pseudo maxwell loop, those properties are nonsense, but they evaluate anyway.
@printline
@testset "IAPWS95" begin
Expand Down Expand Up @@ -248,7 +248,7 @@ end

@testset "SPUNG models" begin
@printline
let T = 298.15, V = 1e-4,p = 1e5,z = Clapeyron.SA[1.0],z1 = Clapeyron.SA[1.0],z2 = [0.5,0.5],z3 = [0.333, 0.333,0.333];
let T = 298.15, V = 1e-4,p = 1e5,z = Clapeyron.SA[1.0],z1 = Clapeyron.SA[1.0],z2 = [0.5,0.5],z3 = [0.333, 0.333,0.333];
@testset "SRK" begin
system = SPUNG(["ethane"])
@test Clapeyron.shape_factors(system, V, T, z)[1] 0.8246924617474896 rtol = 1e-6
Expand All @@ -264,7 +264,7 @@ end

@testset "lattice models" begin
@printline
let T = 298.15, V = 1e-4,p = 1e5,z = Clapeyron.SA[1.0],z1 = Clapeyron.SA[1.0],z2 = [0.5,0.5],z3 = [0.333, 0.333,0.333];
let T = 298.15, V = 1e-4,p = 1e5,z = Clapeyron.SA[1.0],z1 = Clapeyron.SA[1.0],z2 = [0.5,0.5],z3 = [0.333, 0.333,0.333];

@testset "single component" begin
system = Clapeyron.SanchezLacombe(["carbon dioxide"])
Expand Down Expand Up @@ -315,7 +315,7 @@ end
@test volume(system2,1e5,300.15,[1.,0.]) 1.6837207241594103e-5 rtol = 1e-6
end


@testset "AbbottVirial" begin
system = AbbottVirial(["methane","ethane"])
@test volume(system,1e5,300,[0.5,0.5]) 0.024820060368027988 rtol = 1e-6
Expand Down

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