A model combined a back-propagation neural network (BPNN) with a genetic algorithm (GA) based on experimental data as training samples was established to predict the CO2 adsorption capacity for metal organic frameworks (MOFs) of Ni/DOBDC. The random function of the conventional BPNN model was modified by the GA鈥揃PNN model for optimizing the initial weights and bias nodes. The amounts of adsorbed CO2 and corresponding isosteric heat of adsorption on Ni/DOBDC were synchronously studied within a wide temperature range (25鈥?45 掳C) and pressure range (0鈥?.5 MPa). The predicted results of the proposed GA鈥揃PNN model and those of theoretical models and a BPNN model were compared with the experimental data. The proposed model provided a more accurate prediction than those of the theoretical models and BPNN model. In particular, the theoretical models were invalid in the low-pressure range (0鈥?.1 MPa).