Calculating partial molar property
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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
2018년 8월 26일
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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Star Strider
2018년 8월 26일
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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