Limited water resources, increasing demand, low use efficiency, and serious pollution result in severe water resource difficult in China. The evaluation of addressing water problems and the search for effective countermeasures that ensure sustainable water use are key to China's sustainable development. The "compound water security" consists of food security, life security, environmental security, and economic security. By establishing a conceptual model, the water security of China has been simulated in terms of four scenarios called BAU (the business-as-usual scenario), TEC (the technology and economics scenario), IVL (the institution, values, and lifestyles scenario) and TSD(toward sustainable development) in this paper. The results indicated that water crises, especially water shortages, are being experienced now and will continue to do so for a relatively long time in China and that it is possible to reach a basic balance between supply and demand of water and grain under the TSD developing pattern by a series of approaches including technological innovation, policy adjustments, and behaviour inducement.