Molecular dynamics simulations have been carried out to study the stability of gemini surfactant foam with different head groups. The results showed that the interaction strength between the polar head groups of the surfactants and water molecules increased from 12-3S-12 (sulfate) system, 12-3Sn-12 (sulfonate) system to 12-3L-12 (carboxylate) system, and the coordination number of water molecules around head increased. From the perspective of energy, the interface formation energy of 12-3L-12 system was smallest, which means that the foam stability was the best. These results indicated that the different head type had a significant effect on the stability of gemini surfactant foam. (C) 2017 Elsevier B.V. All rights reserved.