Phosgene (COCl2) is a useful chemical intermediate toward making polyurethanes. Unfortunately, it also has a terrible history as a chemical weapon in WWI. It results from the exothermic reaction: CO + Cl2 = COCl2 over an activated carbon catalyst. The forward rate is 1st order in each reactant. The units for the rate are mole/sec-g_cat. Assume for the moment that the reaction is reversible. The reaction is run in a packed bed reactor (PBR). The premixed feed of CO and Cl2 is preheated to 120oC. External heat transfer keeps the PBR isothermal at 120oC. Assume the feed is an equimolar mixture of CO and Cl2.
⢠Obtain the reaction equilibrium constant Keq from: http://www.crct.polymtl.ca/reacweb.htm. Use a realistic temperature range to capture Keq at the exact T you want. Use default units. o Make sure you pick the âgasâ as the phase.
⢠Note that KeqâKp for this ideal gas example; units for Kp are atm. Determine Kc at 120 C.
⢠Calculate the equilibrium conversion: XCO,e. Use the thermodynamics approach.
⢠Based on this result, write a realistic form of the net rate: âr â²co in terms of Cj. ⢠Derive dXCO/dW for the PBR.
⢠Calculate what W is needed to achieve XCO = 0.95. NOTE: Use an ODE solver. Data: kf = 4 liter2/mole-sec-g_cat at 120 oC P âPo = 3 atm , FCOo= 0.02 mole/sec
Phosgene (COCl2) is a useful chemical intermediate toward making polyurethanes. Unfortunately, it also has a terrible history as a chemical weapon in WWI. It results from the exothermic reaction: CO + Cl2 = COCl2 over an activated carbon catalyst. The forward rate is 1st order in each reactant. The units for the rate are mole/sec-g_cat. Assume for the moment that the reaction is reversible. The reaction is run in a packed bed reactor (PBR). The premixed feed of CO and Cl2 is preheated to 120oC. External heat transfer keeps the PBR isothermal at 120oC. Assume the feed is an equimolar mixture of CO and Cl2.
⢠Obtain the reaction equilibrium constant Keq from: http://www.crct.polymtl.ca/reacweb.htm. Use a realistic temperature range to capture Keq at the exact T you want. Use default units. o Make sure you pick the âgasâ as the phase.
⢠Note that KeqâKp for this ideal gas example; units for Kp are atm. Determine Kc at 120 C.
⢠Calculate the equilibrium conversion: XCO,e. Use the thermodynamics approach.
⢠Based on this result, write a realistic form of the net rate: âr â²co in terms of Cj. ⢠Derive dXCO/dW for the PBR.
⢠Calculate what W is needed to achieve XCO = 0.95. NOTE: Use an ODE solver. Data: kf = 4 liter2/mole-sec-g_cat at 120 oC P âPo = 3 atm , FCOo= 0.02 mole/sec
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