Bug fix in zero-density limit

se-schmitt · Jan 11, 2024 · 3542a42 · 3542a42
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diff --git a/README.md b/README.md
@@ -1,6 +1,6 @@
 # EntropyScaling
 
-This is an implementation of the general entropy scaling framework introduced in
+This is an implementation of the entropy scaling framework introduced in
 
 [S. Schmitt, H. Hasse, S. Stephan, **Entropy Scaling Framework for Transport Properties using Molecular-based Equations of State**, *Journal of Molecular Liquids* 395 (2024) 123811.](https://doi.org/10.1016/j.molliq.2023.123811)
 

diff --git a/src/zero_density_limit.jl b/src/zero_density_limit.jl
@@ -17,7 +17,7 @@ function CE_scaled(T::Vector{Float64}, Tc::Float64, pc::Float64, prop::String, B
     Ω(T) =  prop == "vis" ? Ω_22(T) :
             prop == "tcn" ? Ω_22(T) :
             prop == "dif" ? Ω_11(T) : error("'prop' must be 'vis', 'tcn', or 'dif'!")
-    Y_CE⁺(T) = f  / (σ_CE^2 * Ω(T/ε_CE*kB)) * ((T[1]*dBdT(T)+B(T))/NA)^(2/3)
+    Y_CE⁺(T) = f  / (√(π) * σ_CE^2 * Ω(T/ε_CE*kB)) * ((T[1]*dBdT(T)+B(T))/NA)^(2/3)
 
     # Calculate minimum of Y_CE⁺
     TB = nlsolve(x -> B(x[1]),[0.6*Tc]).zero[1]        # Boyle temperature