add acetone, dichloromethane to UNIFAC groups

ClapeyronThermo · Sep 15, 2023 · b5259f3 · b5259f3
1 parent 96e116c
commit b5259f3
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diff --git a/database/Activity/UNIFAC/UNIFAC_groups.csv b/database/Activity/UNIFAC/UNIFAC_groups.csv
@@ -41,3 +41,5 @@ PS(1960),"[""ACH""=>95,""ACCH""=>19,""CH2""=>19]"
 PBD(2350),"[""CH=CH""=>43,""CH2""=>43]"
 PMMA(6350),"[""CH3""=>63,""CH2""=>63,""C""=>63,""CH3COO""=>63]"
 PS(1390),"[""ACH""=>65,""ACCH""=>13,""CH2""=>13]"
+acetone~|~propanone,"[""CH3CO""=>1,""CH3""=>1]"
+ch2cl2~|~dichloromethane,"[""CH2CL2""=>1]"
diff --git a/test/test_misc.jl b/test/test_misc.jl
@@ -312,6 +312,15 @@ end
             @test system.params.Tc[2] == 3.5
 
         end
+
+        @testset "#201" begin
+            #=
+            Ternary LLE
+            =#
+            @test aspenNRTL(["water", "acetone", "dichloromethane"],puremodel = PR) isa EoSModel
+            @test UNIFAC(["water", "acetone", "dichloromethane"]) isa EoSModel
+
+        end
     end
     @printline
     if Base.VERSION >= v"1.8" #for some reason, it segfaults on julia 1.6