Physical Chemistry
Physical Chemistry
2nd Edition
ISBN: 9781133958437
Author: Ball, David W. (david Warren), BAER, Tomas
Publisher: Wadsworth Cengage Learning,
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Chapter 18, Problem 18.40E
Interpretation Introduction

Interpretation:

The values of qrot for NO2(σ=2) at 295K and 400K are to be calculated.

Concept introduction:

The qrot is given by the formula,

qrot=Tσθr

The qrot for polyatomic molecules is given by the formula,

qrot=π1/2σ(T3θr, Aθr, Bθr, C)1/2

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1. Calculate the value of Cp at 298 K and 1 atm pressure predicted for CH4(g) and C2H4(g) by the classical equipartition theorem. Compare the predicted results with the experimental results and calculate the percent of the measured value that arises from vibrational motions. Repeat the calculations at 800 K and 1 atm using the relation below: J T T? T³ Cp, m molk =A(1)+A(2),+A(3)+A(4) K³ 3 mol.K K K?
Calculate the value of Cp at 298K and 1 atm pressure predicted for CH4(g)  and C2H4(g) by the classical equipartition theorem. Compare the predicted results with the experimental results (see OGB Appendix D) and calculate the percent of the measured value that arises from vibrational degrees of freedom.
The force constant for HF is 966 N m-1. Using the harmonic oscillator model, calculate the relative population of the first excited state and the ground state at 300 K.
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