Minor changes

ClapeyronThermo · Oct 3, 2024 · f91d994 · f91d994
1 parent ab72c1d
commit f91d994
Showing 1 changed file with 6 additions and 6 deletions.
diff --git a/src/models/SAFT/COFFEE/COFFEE.jl b/src/models/SAFT/COFFEE/COFFEE.jl
@@ -143,7 +143,7 @@ function a_nf(model ::COFFEEModel, V, T, z, _data=@f(data))
     μ² = model.params.dipole2[1]./ϵ/σ^3
     μ = sqrt(μ²)
 
-    g_hs = 1/(1-η) + 3η/(1-η)^2 + 2η/(1-η)^3
+    g_hs = (1-η/2)/(1-η)^3
     ρ̄ = 6/π*η
     T̄ = T/ϵ
 
@@ -167,7 +167,7 @@ function a_nf(model ::COFFEEModel, V, T, z, _data=@f(data))
     # println("t2 = $t2")
     # println("t3 = $t3")
 
-    return -g_hs*ρ̄*π*2*(19/24*(t1+t2) + μ²/T̄*_Iμμ*t3)
+    return g_hs*ρ̄*π*2*(19/24*(t1+t2) + μ²/T̄*_Iμμ*t3)
 end
 
 function Iμμ(ρ̄,T̄,μ)
@@ -181,9 +181,9 @@ end
 function ∫odr(d,ξ1,ξ2,γ12)
     A12 = ξ1*ξ2 + √(1-ξ1^2)*√(1-ξ2^2)*cos(γ12)
     a = 3*ξ1*ξ2-A12
-    b = d*(ξ2-ξ1)*(A12-3)
+    b = d*(ξ1-ξ2)*(A12-3)
     c = -d^2*(A12^2-4A12+3)
-    f = 2d*(ξ2-ξ1)
+    f = 2d*(ξ1-ξ2)
     f2 = f*f
     f3 = f2*f
 
@@ -281,6 +281,6 @@ const COFFEEconsts = (
     xi_quadrature = ((
         -0.9955569697904981, -0.9766639214595175, -0.9429745712289743, -0.8949919978782753, -0.833442628760834, -0.7592592630373577, -0.6735663684734684, -0.577662930241223, -0.473002731445715, -0.36117230580938786, -0.24386688372098844, -0.1228646926107104, 0.0, 0.1228646926107104, 0.24386688372098844, 0.36117230580938786, 0.473002731445715, 0.577662930241223, 0.6735663684734684, 0.7592592630373577, 0.833442628760834, 0.8949919978782753, 0.9429745712289743, 0.9766639214595175, 0.9955569697904981),
                      (0.01139379850102625, 0.026354986615031935, 0.04093915670130625, 0.054904695975835305, 0.06803833381235695, 0.08014070033500113, 0.09102826198296363, 0.10053594906705073, 0.10851962447426364, 0.11485825914571161, 0.11945576353578476, 0.12224244299031012, 0.12317605372671545, 0.12224244299031012, 0.11945576353578476, 0.11485825914571161, 0.10851962447426364, 0.10053594906705073, 0.09102826198296363, 0.08014070033500113, 0.06803833381235695, 0.054904695975835305, 0.04093915670130625, 0.026354986615031935, 0.01139379850102625)),
-    gamma_quadrature = ((0.04317428463995365, 0.2263710571734096, 0.5514473508874846, 1.0108578788211944, 1.5938436382298375, 2.2867421658612517, 3.073313266599264, 3.935120701359311, 4.851964594103006, 5.802354993984028, 6.764015620375145, 7.714406020256167, 8.631249912999861, 9.493057347759908,10.279628448497922,10.972526976129336,11.55551273553798,12.014923263471688,12.339999557185763,12.52319632971922),
-                        (0.05533603542863827,0.12755315358613742,0.19689004663186138,0.26162159955227077,0.32022291559736965,0.37131907330479025,0.41371205911317543,0.4464080931383211,0.4686407584163816,0.479888918820846,0.479888918820846,0.4686407584163816,0.4464080931383211,0.41371205911317543,0.37131907330479025,0.32022291559736965,0.26162159955227077,0.19689004663186138,0.12755315358613742,0.05533603542863827)),
+    gamma_quadrature = ((-3.120005511269816, -3.0284071250030884, -2.8658689781460507, -2.636163714179196, -2.3446708344748743, -1.9982215706591673, -1.604936020290161, -1.1740323029101376, -0.7156103565382904, -0.24041515659777923, 0.24041515659777923, 0.7156103565382904, 1.1740323029101376, 1.604936020290161, 1.9982215706591673, 2.3446708344748743, 2.636163714179196, 2.8658689781460507, 3.0284071250030884, 3.120005511269816),
+                     (0.05533603542863827,0.12755315358613742,0.19689004663186138,0.26162159955227077,0.32022291559736965,0.37131907330479025,0.41371205911317543,0.4464080931383211,0.4686407584163816,0.479888918820846,0.479888918820846,0.4686407584163816,0.4464080931383211,0.41371205911317543,0.37131907330479025,0.32022291559736965,0.26162159955227077,0.19689004663186138,0.12755315358613742,0.05533603542863827)),
 )