The variation of the chemical potential with respect to temperature provides two thermodynamically relevant quantities: the adsorption enthalpy and the temperature of CO 2 desorption. From the linear coefficient of the fit shown in Fig. , a desorption enthalpy of -104 kJ/mol is estimated, lower in magnitude than the value of -159 kJ/mol measured experimentally for the CO 2 adsorption in gas phase ammonia. This difference points to the important role of the explicit solvation environment to properly model the thermodynamics of this chemical reaction. Moreover, the curve in Fig. also provides the temperature of CO 2 desorption as the temperature T d in which the chemical potential of bound CO 2 in liquid ammonia is zero. Our simulations provide T d = 320K.