Skip to content

Revised association contribution #150

New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Merged
prehner merged 7 commits into from
Apr 14, 2023
Merged

Revised association contribution #150

Show file tree
Hide file tree
Changes from 1 commit
Commits
Show all changes
7 commits
Select commit Hold shift + click to select a range
a2712a8
More generic association models
prehner Mar 22, 2023
c853858
Rewrite association contribution to be more generic
prehner Mar 24, 2023
8b3e474
Michael L. Michelsen to the rescue once again
prehner Mar 25, 2023
bbd54eb
Add hard-sphere theory guide
prehner Apr 3, 2023
acb5b35
update parameter files
prehner Apr 3, 2023
fba05c2
cleanup
prehner Apr 3, 2023
b440144
add changelog
prehner Apr 14, 2023
File filter

Filter by extension

Filter by extension
Conversations
Failed to load comments.
Loading
Jump to
Jump to file
Failed to load files.
Loading
Diff view
Diff view
Prev Previous commit
Next Next commit
update parameter files
  • Loading branch information
@prehner
prehner committed Apr 3, 2023
commit acb5b35a4721f799d723cb5d0eca055f2413c50d
72 changes: 54 additions & 18 deletions parameters/pcsaft/gross2002.json
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -13,7 +13,9 @@
"sigma": 3.23,
"epsilon_k": 188.9,
"kappa_ab": 0.035176,
"epsilon_k_ab": 2899.5
"epsilon_k_ab": 2899.5,
"na": 1.0,
"nb": 1.0
},
"molarweight": 32.042
},
Expand All @@ -31,7 +33,9 @@
"sigma": 3.1771,
"epsilon_k": 198.24,
"kappa_ab": 0.032384,
"epsilon_k_ab": 2653.4
"epsilon_k_ab": 2653.4,
"na": 1.0,
"nb": 1.0
},
"molarweight": 46.069
},
Expand All @@ -49,7 +53,9 @@
"sigma": 3.2522,
"epsilon_k": 233.4,
"kappa_ab": 0.015268,
"epsilon_k_ab": 2276.8
"epsilon_k_ab": 2276.8,
"na": 1.0,
"nb": 1.0
},
"molarweight": 60.096
},
Expand All @@ -67,7 +73,9 @@
"sigma": 3.6139,
"epsilon_k": 259.59,
"kappa_ab": 0.006692,
"epsilon_k_ab": 2544.6
"epsilon_k_ab": 2544.6,
"na": 1.0,
"nb": 1.0
},
"molarweight": 74.123
},
Expand All @@ -85,7 +93,9 @@
"sigma": 3.4508,
"epsilon_k": 247.28,
"kappa_ab": 0.010319,
"epsilon_k_ab": 2252.1
"epsilon_k_ab": 2252.1,
"na": 1.0,
"nb": 1.0
},
"molarweight": 88.15
},
Expand All @@ -103,7 +113,9 @@
"sigma": 3.6735,
"epsilon_k": 262.32,
"kappa_ab": 0.005747,
"epsilon_k_ab": 2538.9
"epsilon_k_ab": 2538.9,
"na": 1.0,
"nb": 1.0
},
"molarweight": 102.177
},
Expand All @@ -121,7 +133,9 @@
"sigma": 3.545,
"epsilon_k": 253.46,
"kappa_ab": 0.001155,
"epsilon_k_ab": 2878.5
"epsilon_k_ab": 2878.5,
"na": 1.0,
"nb": 1.0
},
"molarweight": 116.203
},
Expand All @@ -139,7 +153,9 @@
"sigma": 3.7145,
"epsilon_k": 262.74,
"kappa_ab": 0.002197,
"epsilon_k_ab": 2754.8
"epsilon_k_ab": 2754.8,
"na": 1.0,
"nb": 1.0
},
"molarweight": 130.23
},
Expand All @@ -157,7 +173,9 @@
"sigma": 3.7292,
"epsilon_k": 263.64,
"kappa_ab": 0.001427,
"epsilon_k_ab": 2941.9
"epsilon_k_ab": 2941.9,
"na": 1.0,
"nb": 1.0
},
"molarweight": 144.257
},
Expand All @@ -175,7 +193,9 @@
"sigma": 3.2085,
"epsilon_k": 208.42,
"kappa_ab": 0.024675,
"epsilon_k_ab": 2253.9
"epsilon_k_ab": 2253.9,
"na": 1.0,
"nb": 1.0
},
"molarweight": 60.096
},
Expand All @@ -193,7 +213,9 @@
"sigma": 3.9053,
"epsilon_k": 266.01,
"kappa_ab": 0.001863,
"epsilon_k_ab": 2618.8
"epsilon_k_ab": 2618.8,
"na": 1.0,
"nb": 1.0
},
"molarweight": 88.15
},
Expand All @@ -211,7 +233,9 @@
"sigma": 3.0007,
"epsilon_k": 366.51,
"kappa_ab": 0.034868,
"epsilon_k_ab": 2500.7
"epsilon_k_ab": 2500.7,
"na": 1.0,
"nb": 1.0
},
"molarweight": 18.015
},
Expand All @@ -229,7 +253,9 @@
"sigma": 2.8906,
"epsilon_k": 214.94,
"kappa_ab": 0.095103,
"epsilon_k_ab": 684.3
"epsilon_k_ab": 684.3,
"na": 1.0,
"nb": 1.0
},
"molarweight": 31.06
},
Expand All @@ -247,7 +273,9 @@
"sigma": 3.1343,
"epsilon_k": 221.53,
"kappa_ab": 0.017275,
"epsilon_k_ab": 854.7
"epsilon_k_ab": 854.7,
"na": 1.0,
"nb": 1.0
},
"molarweight": 45.09
},
Expand All @@ -265,7 +293,9 @@
"sigma": 3.5347,
"epsilon_k": 250.52,
"kappa_ab": 0.022674,
"epsilon_k_ab": 1028.1
"epsilon_k_ab": 1028.1,
"na": 1.0,
"nb": 1.0
},
"molarweight": 59.11
},
Expand All @@ -283,7 +313,9 @@
"sigma": 3.4777,
"epsilon_k": 231.8,
"kappa_ab": 0.02134,
"epsilon_k_ab": 932.2
"epsilon_k_ab": 932.2,
"na": 1.0,
"nb": 1.0
},
"molarweight": 59.11
},
Expand All @@ -301,7 +333,9 @@
"sigma": 3.7021,
"epsilon_k": 335.47,
"kappa_ab": 0.074883,
"epsilon_k_ab": 1351.6
"epsilon_k_ab": 1351.6,
"na": 1.0,
"nb": 1.0
},
"molarweight": 93.13
},
Expand All @@ -319,7 +353,9 @@
"sigma": 3.8582,
"epsilon_k": 211.59,
"kappa_ab": 0.07555,
"epsilon_k_ab": 3044.4
"epsilon_k_ab": 3044.4,
"na": 1.0,
"nb": 1.0
},
"molarweight": 60.053
}
Expand Down
4 changes: 4 additions & 0 deletions parameters/pcsaft/loetgeringlin2015_homo.json
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -277,6 +277,8 @@
"epsilon_k": 488.66,
"epsilon_k_ab": 2517.0,
"kappa_ab": 0.006825,
"na": 1.0,
"nb": 1.0,
"viscosity": [
-15.7583e-3,
-2.5654e-1,
Expand All @@ -294,6 +296,8 @@
"epsilon_k": 467.59,
"epsilon_k_ab": 1064.6,
"kappa_ab": 0.026662,
"na": 1.0,
"nb": 1.0,
"viscosity": [
-4.4048e-3,
-0.6089e-1,
Expand Down
Loading