Thermodynamics, Statistical Thermodynamics, & Kinetics
3rd Edition
ISBN: 9780321766182
Author: Thomas Engel, Philip Reid
Publisher: Prentice Hall
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Part A
Determine the total molecular partition function for gaseous H2O at 1000. K confined to a volume of 2.20
cm³. The rotational constants for water are BA = 27.8 cm, BB = 14.5 cm¯', and
Bc = 9.95 cm. The vibrational frequencies are 1615, 3694, and 3802 cm-. The ground electronic
state is nondegenerate. (Note: the Avogadro's constant NA = 6.022 × 1023 mol-1).
Express your answer to three significant figures.
Ην ΑΣφ
qtotal =
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Calculate the value of the translational partition function for 1H 35Cl at temperature T = 406 K in a 1.0 L container
Calculate (i) the thermal wavelength, (ii) the translational partition function at 300 K and 3000 K of a molecule of molar mass 150 g mol−1 in a container of volume 1.00 cm3.
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- Calculate the vibrational partition function of CI4 at 500 K given the wavenumbers 178 cm−1 (symmetric stretch, non-degenerate), 90 cm−1 (deformation, doubly degenerate), 555 cm−1 (deformation, triply degenerate), 125 cm−1 (deformation, triply degenerate).arrow_forwardThe ratio between the translational partition function of H2 to that of unknown gas X2 at 400 K is 80. if the thermal de Broglie wavelength of H2 is 61.71 pm, what would be the thermal de Broglie wavelength of the unknown gas in pm assuming that both gases are confined in the same volume.arrow_forwardCalculate the translational partition function at (a) 300 K and (b) 600 K of a molecule of molar mass 100 g mol-1 in a container of volume 4.20 cm3.a.) qtr at 300 K (ans is in x10^27 range)b.) qtr at 600 K (ans is in x10^27 range)Note: this is a measure of the vast number of accessible microstates of translation available to a molecule under these conditions.arrow_forward
- The diatomic molecule N2 has a rotational constant B(~) = 2.0 cm-1 and a vibrational constant v(~) = 2400 cm-1. The symmetry number for the molecule is 2. Sorry that I cannot write the symbols properly here for the wavenumber versions of the spectroscopic constants. (a) Suppose that a high-temperature limit for a partition function gives the value q = 0.34. Comment on the value and whether the high-temperature limit is valid.arrow_forwardEstimate the vibrational contribution to the molar entropy of the most common isotopomer of bromine, 79Br2, at 1000 K. The vibrational wavenumber for 79Br2 is 325 cm-1. You may assume that at this temperature, the equipartition theorem and the high temperature approximation for the vibrational partition function are both valid.arrow_forwardCalculate the translational partition function at (a) 300 K and (b) 600 K of a molecule of molar mass 100 g mol-1 in a container of volume 4.20 cm3.qtr at 300 K qtr at 600 K Note: this is a measure of the vast number of accessible microstates of translation available to a molecule under these conditions.arrow_forward
- The NOF molecule is an asymmetric rotor with rotational constants 3.1752 cm−1, 0.3951 cm−1, and 0.3505 cm−1. Calculate the rotational partition function of the molecule at (i) 25 °C, (ii) 100 °C.arrow_forwardThe H2O molecule is an asymmetric rotor with rotational constants 27.877 cm−1, 14.512 cm−1, and 9.285 cm−1. Calculate the rotational partition function of the molecule at (i) 25 °C, (ii) 100 °C.arrow_forwardThe bond length of O2 is 120.75 pm. Use the high-temperature approximation to calculate the rotational partition function of the molecule at 300 K.arrow_forward
- Estimate the rotational partition function of ethene at 25 °C given that ᷉ A = 4.828 cm−1, ᷉ B =1.0012 cm−1, and ᷉ C = 0.8282 cm−1. Take the symmetry number into account.arrow_forwardThe methyl chloride molecule, CH3Cl, has three non-degenerate vibrations with harmonic wavenumbers 3088, 1396 and 751 cm–1 respectively and three doubly-degenerate vibrations with harmonic wavenumbers 3183, 1496 and 1036 cm–1 respectively. Calculate the vibrational partition function for the methyl chloride molecule at 1200 K.arrow_forwardCalculate the vibrational partition function of CS2 at 500 K given the wavenumbers 658 cm−1 (symmetric stretch), 397 cm−1 (bend; doubly degenerate), 1535 cm−1 (asymmetric stretch).arrow_forward
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