CO Со, -4.94876985 x 103 kJ/mol н -3.94506117 x 10' kJ/mol 0.39305376802 kJ/mol/K 0.4111337849 kJ/mol/K S G ? -4.94999564 x 10' kJ/mol -3.94623306 x 105 kJ/mol The enthalpy, entropy, and free energy of CO can be computed as follows. First, we define the geometry at the equilibrium geometry, computed in the Enthalpy lesson mol_CO [["C", 0, 0, 0], ["O", 0, 0, 1.13485718]]; mol_CO [["C", 0, 0, 0]. ["O", 0, 0, 1.13485718]] (2.2) Finally, we compute a table of thermodynamic properties for CO including the enthalpy, entropy, and free energy. By default, the command uses a temperature of 298 K > thermo_CO= Thermodynamics(mol_CO, 'DensityFunctional', basis = "cc-pvdz"); J entropy=389.04949897 energy= -2.97355647 108 mol mol pe13100.56264564 mol thermo COtable , heat capacity= 20.81 00 12 14 ,electronic_energy= -2.97388047 108 J (2.3) mol K mol K J enthalpy= -2.97353168 108 J -2.74504846 K, free_energy= -2.97469163 10° mol 0 2.74504846 K mol в (a) What is the computed enthalpy of CO in kJ/mol? (b) What is the computed entropy of CO in kJ/mol/K? (c) What is the computed free energy of CO in kJmol? We can convert the enthalpy, entropy, and free energy from J to kJ using Maple's convert command kJ >H[CO] comnvertthermo_CO[ enthalpy],'unts'.- mol kJ Hco=-297353.16764385 mol (2.4) kJ SICO] convertthermo_CO[entropy],'units', mol K kJ =0.38904950 Sco (2.5) mol K convert > G[CO] thermo_CO[ free_energy],'units','- mol kJ Gco=-297469.16275 197 mol (2.6) Similarly, answer the following questions: (e) Using the entropy of CO in (b) and the precomputed entropy values in Table 1, calculate the change in entropy in the combustion of l mol of CO Using the free energy of CO in (c) and the precomputed free energy values in Table 1, calculate the change in free energy in the combustion of 1 mol of CO. (g) Using the change in enthalpies and entropies and the Gibbs free energy equation, compute the change in free energy in the combustion of 1 mol of CO (h) Do you results for the free energy change in (f) and (g) agree? i Using the change in enthalpies and entropies and the Gibbs free energy equation, estimate the temperature below which the reaction is spontaneous.

Principles of Modern Chemistry
8th Edition
ISBN:9781305079113
Author:David W. Oxtoby, H. Pat Gillis, Laurie J. Butler
Publisher:David W. Oxtoby, H. Pat Gillis, Laurie J. Butler
Chapter12: Thermodynamic Processes And Thermochemistry
Section: Chapter Questions
Problem 29P
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Table one is the chart at the top of image 1. Subquestions A-C and their answers are also in that image in Blue. I need help with E-H.  

The Equation is 

 CO(g) + 1/2O2 = CO2 (g)

CO
Со,
-4.94876985 x 103 kJ/mol
н
-3.94506117 x 10' kJ/mol
0.39305376802 kJ/mol/K
0.4111337849 kJ/mol/K
S
G
?
-4.94999564 x 10' kJ/mol
-3.94623306 x 105 kJ/mol
The enthalpy, entropy, and free energy of CO can be computed as follows. First, we define the geometry at the equilibrium geometry, computed in the Enthalpy lesson
mol_CO
[["C", 0, 0, 0], ["O", 0, 0, 1.13485718]];
mol_CO
[["C", 0, 0, 0]. ["O", 0, 0, 1.13485718]]
(2.2)
Finally, we compute a table of thermodynamic properties for CO including the enthalpy, entropy, and free energy. By default, the command uses a temperature of 298 K
> thermo_CO= Thermodynamics(mol_CO, 'DensityFunctional', basis = "cc-pvdz");
J
entropy=389.04949897
energy= -2.97355647 108
mol
mol pe13100.56264564
mol
thermo COtable
, heat capacity= 20.81 00 12 14
,electronic_energy= -2.97388047 108 J
(2.3)
mol K
mol K
J
enthalpy= -2.97353168 108
J
-2.74504846 K, free_energy= -2.97469163 10°
mol
0 2.74504846 K
mol
в
(a) What is the computed enthalpy of CO in kJ/mol?
(b) What is the computed entropy of CO in kJ/mol/K?
(c) What is the computed free energy of CO in kJmol?
We can convert the enthalpy, entropy, and free energy from J to kJ using Maple's convert command
kJ
>H[CO] comnvertthermo_CO[ enthalpy],'unts'.-
mol
kJ
Hco=-297353.16764385
mol
(2.4)
kJ
SICO] convertthermo_CO[entropy],'units',
mol K
kJ
=0.38904950
Sco
(2.5)
mol K
convert
> G[CO]
thermo_CO[ free_energy],'units','-
mol
kJ
Gco=-297469.16275 197
mol
(2.6)
Transcribed Image Text:CO Со, -4.94876985 x 103 kJ/mol н -3.94506117 x 10' kJ/mol 0.39305376802 kJ/mol/K 0.4111337849 kJ/mol/K S G ? -4.94999564 x 10' kJ/mol -3.94623306 x 105 kJ/mol The enthalpy, entropy, and free energy of CO can be computed as follows. First, we define the geometry at the equilibrium geometry, computed in the Enthalpy lesson mol_CO [["C", 0, 0, 0], ["O", 0, 0, 1.13485718]]; mol_CO [["C", 0, 0, 0]. ["O", 0, 0, 1.13485718]] (2.2) Finally, we compute a table of thermodynamic properties for CO including the enthalpy, entropy, and free energy. By default, the command uses a temperature of 298 K > thermo_CO= Thermodynamics(mol_CO, 'DensityFunctional', basis = "cc-pvdz"); J entropy=389.04949897 energy= -2.97355647 108 mol mol pe13100.56264564 mol thermo COtable , heat capacity= 20.81 00 12 14 ,electronic_energy= -2.97388047 108 J (2.3) mol K mol K J enthalpy= -2.97353168 108 J -2.74504846 K, free_energy= -2.97469163 10° mol 0 2.74504846 K mol в (a) What is the computed enthalpy of CO in kJ/mol? (b) What is the computed entropy of CO in kJ/mol/K? (c) What is the computed free energy of CO in kJmol? We can convert the enthalpy, entropy, and free energy from J to kJ using Maple's convert command kJ >H[CO] comnvertthermo_CO[ enthalpy],'unts'.- mol kJ Hco=-297353.16764385 mol (2.4) kJ SICO] convertthermo_CO[entropy],'units', mol K kJ =0.38904950 Sco (2.5) mol K convert > G[CO] thermo_CO[ free_energy],'units','- mol kJ Gco=-297469.16275 197 mol (2.6)
Similarly, answer the following questions:
(e) Using the entropy of CO in (b) and the precomputed entropy values in Table 1, calculate the change in entropy in the combustion of l mol of CO
Using the free energy of CO in (c) and the precomputed free energy values in Table 1, calculate the change in free energy in the combustion of 1 mol of CO.
(g) Using the change in enthalpies and entropies and the Gibbs free energy equation, compute the change in free energy in the combustion of 1 mol of CO
(h) Do you results for the free energy change in (f) and (g) agree?
i Using the change in enthalpies and entropies and the Gibbs free energy equation, estimate the temperature below which the reaction is spontaneous.
Transcribed Image Text:Similarly, answer the following questions: (e) Using the entropy of CO in (b) and the precomputed entropy values in Table 1, calculate the change in entropy in the combustion of l mol of CO Using the free energy of CO in (c) and the precomputed free energy values in Table 1, calculate the change in free energy in the combustion of 1 mol of CO. (g) Using the change in enthalpies and entropies and the Gibbs free energy equation, compute the change in free energy in the combustion of 1 mol of CO (h) Do you results for the free energy change in (f) and (g) agree? i Using the change in enthalpies and entropies and the Gibbs free energy equation, estimate the temperature below which the reaction is spontaneous.
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