Calculating partial molar property

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Sepanta Gharib
Sepanta Gharib 2018-8-26
评论： Star Strider 2018-8-26
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?
  2 个评论
KALYAN ACHARJYA
KALYAN ACHARJYA 2018-8-26
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.
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Sepanta Gharib
Sepanta Gharib 2018-8-26
编辑：Sepanta Gharib 2018-8-26
assuming that
a = 2*y1+4*y2^2
and want to calculate " abar" that would obviously be a function of y1 & y2.
The rest of the things said, I think is clear.
Example of a manual calculation is as follows:

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Star Strider
Star Strider 2018-8-26
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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