Calculating partial molar property

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 Comments

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.
Read Here
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:

Sign in to comment.

 Accepted Answer

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

2 Comments

God bless you, dear!
As always, my pleasure!

Sign in to comment.

More Answers (0)

Community Treasure Hunt

Find the treasures in MATLAB Central and discover how the community can help you!

Start Hunting!