In order to overcome the disadvantages of the rod-baffle heat exchanger, which achieves the high heat transfer efficiency only at high flow velocity, and which with non compact layout of tubes and is weak in the resistance of operation mode changes, this paper proposed two sizes of heat exchange tubes and holding and support structures to replace the traditional rod-baffle support unit, to increase the heat exchange coefficient on shell side and the heat exchange effectiveness. Three-dimensional numerical simulation was conducted on theshellside flow field and heat exchange field by the CFD software, and the calculation method was proposed for the included angle for the shellside velocity-temperature gradient fields of the vertical flow heat exchanger with complex structure. The quantitative relationship of the field coordination angle for the shellside velocity field and temperature gradient field was obtained and it is proved that the new structure is with better field coordination relation.