Table 3.

Description of main subroutines to produce power from raw bioethanol.

Aspen subroutine	Description	Conditions	Assumptions
R-101	Steam reforming of bioethanol modelled with a Gibbs reactor	T = 700 °C P = 1 atm	● The steam reforming reactor was modelled as Gibbs reactor. ● A calculator block was employed to calculate H2 yield (${\mathrm{Y}}_{{\mathrm{H}}_2}$) based on the impurities concentration (${\mathrm{x}}_{\mathrm{i}}$) and the following equation: ${\mathrm{Y}}_{{\mathrm{H}}_2}=-15.269*{\mathrm{x}}_{\mathrm{i}}+5.402$[2] ● CO, CO2, CH4, C3H6, C4H8, acetaldehyde, acetone, higher alcohols were including within the Gibbs analysis. ● RhPt/CeO2-SiO2 was used as catalyst. ● The amount of catalyst was calculated based on laboratory conditions.
R-102	CO removal from the syn-gas stream	T = 260 °C P = 1 atm	● The CO removal reactor was modelled as Gibbs reactor. ● The temperature was set to 260 °C based on previous works. ● A calculator block was employed to calculate the H2 mole flow rate. ● The O2/CO ratio was adjusted to 0.9 using a Fortran statement. ● Au-CuO/CeO2 was used as catalyst. ● The amount of catalyst was calculated similar to R-101.
Pressure swing adsorption (PSA)	H2 purification	T = 35 °C P = 15 bar H2 recovery = 80% H2 purity = 99.99 vol.%	● A double layer adsorbent formed by activated carbon and zeolite was used to clean the gas from the CO removal reactor. ● The amount of adsorbent employed was assumed to be 0.85 g per kg of fuel based on a conceptual project developed in Germany to produce H2 from biogas [6]. ● A carbon-zeolite ratio of 8:2 was assumed to be used in the PSA stage according to literature.
Furnace	Burn the gases from the PSA unit to produce energy to heat up the reformer	Adiabatic	● The furnace was modelled with a Gibbs reactor. ● CO2, NO2, NO, N2O, CO, CH4, H2 were considered as output products. ● Biogas, obtained from anaerobic digestion of mud, was employed as additional fuel to heat up some stream processes.
K-system	Compress the clean gas to PSA conditions	Polyprotic efficiency = 83%	● Compression system was built according to heuristics rules. ● 4 compressors were included to increase the pressure from 1 to 15 atm. ● Intermediate cooling was used. ● The outlet temperature for the cooling system was selected according to the dew temperature of the gas.