Computation of 2nd and 3rd Virial Coefficients

AI Thread Summary
The discussion revolves around calculating the 2nd and 3rd Virial coefficients for Argon at 300K using provided experimental data. Participants emphasize the importance of fitting the data accurately, noting that using too many coefficients can lead to overfitting, which may not provide useful predictions between data points. A fitting equation with seven terms was derived, but the focus should be on simplifying it to extract only the necessary coefficients for the 2nd and 3rd Virial coefficients. The conversation highlights the balance between achieving a good fit and maintaining the model's predictive validity. Ultimately, the goal is to compute the coefficients accurately while avoiding unnecessary complexity in the fitting process.
amattiol
Messages
7
Reaction score
0

Homework Statement


Compute the 2nd and 3rd Virial coefficients at 300K of Ar. Experimental parameters are mentioned in xlist and ylist below :)


Homework Equations


My professor has given a hit, which is as follows: "Use the data to determine the (z) compressability (sp?) and plot Z as a function of the reiprocal of molar volume."


The Attempt at a Solution



In Maple this is where I am at:

xlist := [.4, .5, .6, .8, 1, 1.5, 2, 2.5, 3, 4];
ylist := [6.2208, 4.9736, 4.1423, 3.1031, 2.4795, 1.6483, 1.2328, .98357, .81746, .60998];
xylist := zip(proc (x, y) options operator, arrow; [x, y] end proc, xlist, ylist);
xylist:= [[0.4, 6.2208], [0.5, 4.9736], [0.6, 4.1423], [0.8, 3.1031], [1, 2.4795], [1.5, 1.6483], [2, 1.2328], [2.5, 0.98357], [3, 0.81746], [4, 0.60998]]

Then I have done non linear fitting for 7 Virial coefficients with the resulting equation of fit:
f(x) =0.733475918379429/x^6-5.86019434244588/x^5+18.1883313118305/x^4-27.6759879335724/x^3+21.3651589091868/x^2-5.25691168982818/x+1
 
Physics news on Phys.org
Why fit with 7 terms when you are asked for only 3?

Not strong on the statistical theory but I think you positively lose information by fitting to too many terms.
 
epenguin, I fit 7 terms because it was such a good fit I couldn't resist keeping it fit to the 8th coefficient. If I reduce the fit eqn to z = 1 + B/Vbar + C/(Vbar^2) then B and C would be the 2nd and 3rd coefficients correct? Then I use those to calculate Z?
Thanks for the response...I realize I didn't format the question very well.
 
When fitting polynomials, the more coefficients you use, the better fit you will get. When number of coefficients equal number of data points the curve will go exactly through all the points (think why), but it will be useless between points.
 
Borek said:
When fitting polynomials, the more coefficients you use, the better fit you will get. When number of coefficients equal number of data points the curve will go exactly through all the points (think why), but it will be useless between points.
:approve:
Exactly what I was about to say. and fitting 10 points with 6 coefficients you are getting that way.
 
Thread 'Confusion regarding a chemical kinetics problem'
TL;DR Summary: cannot find out error in solution proposed. [![question with rate laws][1]][1] Now the rate law for the reaction (i.e reaction rate) can be written as: $$ R= k[N_2O_5] $$ my main question is, WHAT is this reaction equal to? what I mean here is, whether $$k[N_2O_5]= -d[N_2O_5]/dt$$ or is it $$k[N_2O_5]= -1/2 \frac{d}{dt} [N_2O_5] $$ ? The latter seems to be more apt, as the reaction rate must be -1/2 (disappearance rate of N2O5), which adheres to the stoichiometry of the...
Back
Top