You can do it with the Gibbs reactor in flow sheet mode or as a tabulated data set in property mode.

As the stoichiometry is known, use the simplest Rstoic reactor model from the model library in the simulation environment. After specifying the stoichiometry, select the "calculate heat of reaction" under the heat of reaction tab of the Rstoic model. check the block(Rstoic) results once you ran the simulation.

Dear Jerry and Haneef

Thank you for your guidance.

I think Your proposed way is restricted to heat of reaction at Constant temperature. is there any way to access to correlation of heat of reaction as a temperature function by using Aspen property data?

Dear Ghasem,

Yes, Making it simple. Run a sensitivity analysis (find under Model Analysis tool) by varying reaction temperature (only possible if you have specified the same in reactor model in the first simulation) and defining/calculating/ reporting heat of reaction.

Good Luck man !

Dear Haneef

Thank you so much for your help.

I have done your offer about using of sensitivity analysis, but as is observed in the attached figure, the reported reaction heat by varying temperature is constant !

Dear Ghasem,

You are right. As the heat of reaction is the amount of energy released/ absorbed per mole of reactant during reaction, it remains same. I was mistaken the heat of reaction with the heat duty of the reactor.

The heat of reaction at any givn temperature can be clculated by cooling reactants to the reference temperature (H feed cool) apply heat of reaction at the reference temperture (H rx standard) Heat from standard temp to reference temperature.

You can calculate heat of reacction at any temperature with this method.

Heat of reaction at T = Heat of react at ref + Heat release cooling reactantsfrom T to reference Temperature (usually 25 C or 15 C) -- Heat required to bring products from reference temperature to T.

Sign convention is sometimes confusing (exothermic HOR is negative) make sure heating and cooling heat signs are consistant with this convention.

Dear Manner

Thanks for your guidance.

I think your mind is calculating heat of reaction according formation enthalphy of each component by MATLAB. but I wanted to use from aspen property database for time saving. as I showed in the above I cannot access to temperature function of the reaction heat by using "sensitivity analysis" of Aspen plus. Do you Know a way to reach this goal by using hysys?

Best Wishes!

If you insist on using Hysys or Aspen plus just set up the reaction and attach a heat stream. Specify the same temperature for the feed and the product, The heat stream will give the heat of raction for the amount of materia you chose to react at the isothermal temperature you chose.

Dear Rick,

As the Aspen works based on rating mode of simulation, is it possible to maintain the output stream conditions different from the reactor unit specifications?

You shold be able to add an energy stream to make the reaction outlet temperature = reactor inlet. Or you could feed the ractor outlet to a heat exchanger to cool/heat it to the inlet temperature.

Does ASPEN PLUS provides a way to calculate the heat of reaction if you don't know the reaction stoichiometry?

Thank you