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C 1 = exp ( - 1 3 . 4 + 9 3 8 0 T ) C 2 = exp ( - 6 .

C1=exp(-13.4+9380T)
C2=exp(-6.2+4883T)
C3=exp(-74.6-39060T)
C4=exp(-27.8+15948T)
C5=exp(-13.7+8229T)
To solve the problem, you will need to know the Gibbs free energy of reaction, Grxn, for both reactions. In
thermodynamics you will learn how to calculate these quantities from reference tables like the NIST Webbook,
but for this case you can assume that HRWGS=41.15kJmol,SRWGS=41.97JmolK,HMeOH=-94.47
kJmol and SMeOH=-219.06JmolK and that they are independent of temperature. Furthermore, recall that:
Grxn=Hrxn-TSrxn
and pay careful attention to the different units of enthalpy and entropy!
Set up all required mass balances to derive ODEs that govern the system of both reactions using the
extent of reaction approach. Note that in this case, the extent of reaction will have units of bar/s,
which, via the ideal gas law, is directly proportional to molvolume. Use the resulting equations to
solve an initial value problem assuming initial concentrations 1 bar CO2,3 bar of H2, and 0 bar of all
other species at a temperature of 440K for t=0 to 36000s. Use the results to plot the extent of reaction
for both reactions as a function of time from t=0 to 36000s and t=0 to 600s. Assume that the reaction
is at equilibrium when the rate of change of the extent of reaction for MeOH synthesis is below 0.01
bar/s (i.e.ddt0.01).
ri=d**dt;,pi=pi0+vi**
a. Setup: Derive equations in terms of extent of reaction, place them in standard form, and
indicate initial conditions. Hint: there should be 2 equations.
b. Results: Two plots with two curves.
c. Analysis: Approximately how long does it take for the RWGS reaction to equilibrate?
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