Aiming at the problems of low strength, flammability, easy falling off, and aging of traditional organic thermal insulation materials, inorganic thermal insulation materials of different types of nano-modified lightweight aggregates were prepared in this paper. The feasibility of preparing permanent thermal insulation formwork of mass concrete with nano-modified lightweight aggregate was studied through experiments and calculation analysis of mechanical, durability, and thermal properties. The results show that the water absorption of shale ceramsite modified by nano-permeable hydrophobic agent is reduced to 1.21%, and the water absorption rate of inorganic precast hollow aggregate produced by nano-silica powder is lower, which is 0.79%. Inorganic precast hollow aggregate concrete, modified shale ceramsite concrete, and organic foamed aggregate concrete have the characteristics of high strength, fire resistance, aging resistance and low thermal conductivity. Inorganic precast hollow aggregate concrete and modified shale ceramsite concrete have excellent impermeability and frost resistance. Organic foamed aggregate concrete has the lowest thermal conductivity and good thermal insulation effect and its durability can be improved by surface protection technology. According to the principle of equivalent surface heat release coefficient, it is feasible to use lightweight aggregate precast formwork as permanent insulation formwork of mass concrete with thickness between 50 and 100 cm. The permanent thermal insulation formwork of nano-modified lightweight aggregate concrete can also be used as the formwork for concrete construction to realize the temperature control measures of tracking thermal insulation and slow cooling of mass concrete, reduce the risk of cracking, and improve the construction efficiency.