To raise the comprehensive benefits (including ecological, economic and social benefits) of phytoremediation of heavy metal contaminated soils for smooth development of the work, a case study was conducted of Guixi, using a coupled model to analyze spatial differentiation of benefits of the phytoremediation and to screen out proper types of plants for use in phytoremediation. Results show that comprehensive benefits of the phytoremediation varied from region to region Comprehensive benefits was the lowest in Shuiquan, being only 0.173 6, the highest, in Sumen, reaching as high as 0.835 4; and approximate in Jiuniugang and Pangyuan, both being lower than 0.4, and falling into the category of low benefit region. Among the types of vegetation used in phytoremediation, mixed plantation of arbor trees and shrubs was the best and mono-planting was the poorest in overall benefit. It is, therefore, recommended that the high-efficiency planting pattern in Sumen, i.e. mixed plantation of Photinia fraseri and Koelreuteria paniculata, be promoted.