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Calculating equilibrium constants using Aspen

2017-09-25View Original

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Hello everyone. I used Aspen to find the standard molar Gibbs free energies of the various substances involved in the reaction. By using the Gibbs free energies of each component, I calculated the standard molar reaction Gibbs free energy for this reaction. Then, using the formula G = -RT*LnK, I determined the equilibrium constant, and subsequently calculated the molar concentrations of the various substances at equilibrium. It was found that the calculated value differed significantly from the experimental value, with the calculated value being practically unresponsive. Since the entropy value of BINGWAN (diethoxypropane) could not be found in books, nor in the databases available in Aspen, I estimated the value and then analyzed it. May I ask if there is any error in my algorithm? Please, someone expert can help solve this :(。 The specific reaction is 2 ethanol + 1 propanol = 1 diethoxypropane + 1 water

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