Calculating partial molar property
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Sepanta Gharib
le 26 Août 2018
Commenté : Star Strider
le 26 Août 2018
I want to calculate partial molar property of species i in a binary mixture, which is defined as " abari". Its molar property is defined as " a" and is a function of mole fraction (" yi"). How can I calculate this partial molar property " abari" as a function of mole fraction " yi" in Matlab?

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KALYAN ACHARJYA
le 26 Août 2018
Maybe all Matlab users are not a chemist, we have no idea what molar property is? Explain the maths, what is the equation, what result you are expecting and mentioned the typical values of all contents and defined variables.
Sepanta Gharib
le 26 Août 2018
Modifié(e) : Sepanta Gharib
le 26 Août 2018
Réponse acceptée
Star Strider
le 26 Août 2018
You will need to use the Symbolic Math Toolbox for this:
syms n n1 n2
y1(n1) = n1/n;
y2(n2) = n2/n;
a(n1,n2) = 2*y1(n1) + 4*y2(n2)^2;
na = n*a
a1_bar = diff(na, n1)
a2_bar = diff(na, n2)
producing:
na(n1, n2) =
n*((2*n1)/n + (4*n2^2)/n^2)
a1_bar(n1, n2) =
2
a2_bar(n1, n2) =
(8*n2)/n
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