To replace costly and time-consuming experimentation in laboratory, a novel solubility prediction model based on chaos theory, self-adaptive particle swarm optimization (PSO), fuzzy c-means clustering method, and radial basis function artificial neural network (RBF ANN) is proposed to predict CO 2 solubility in polymers, hereafter called CSPSO-FC RBF ANN. The premature convergence problem is overcome by modifying the conventional PSO using chaos theory and self-adaptive inertia weight factor. Fuzzy c-means clustering method is used to tune the hidden centers and radial basis function spreads. The modified PSO algorithm is employed to optimize the RBF ANN connection weights. Then, the proposed CSPSO-FC RBF ANN is used to investigate solubility of CO 2 in polystyrene (PS), polypropylene (PP), poly(butylene succinate) (PBS) and poly(butylene succinate-co-adipate) (PBSA), respectively. Results indicate that CSPSO-FC RBF ANN is an effective method for gas solubility in polymers. In addition, compared with conventional RBF ANN and PSO ANN, CSPSO-FC RBF ANN shows better performance. The values of average relative deviation (ARD), squared correlation coefficient (R 2 ) and standard deviation (SD) are 0.1071, 0.9973 and 0.0108, respectively. Statistical data demonstrate that CSPSO-FC RBF ANN has excellent prediction capability and high-accuracy, and the correlation between prediction values and experimental data is good.