聚亚胺亚胺酮泡沫制备的计算机模拟及其结构表征

Computer simulation and characterization of Poly(imino imino ketone)foam

以4,4-二-溴二苯甲酮和对苯二胺为单体,在钯催化体系(BINAP/(Pd2(dba)3)作用下得到聚亚胺亚胺酮(PIIK)(Mn=35000,Mw=125000,Mw/Mn=3.57)。通过Materials Studio(MS,version 4.3Accelrys Software Inc.,SanDiego,CA,USA)中的Blends模块对PIIK/Dioxane溶液体系的热致相分离行为进行了计算模拟。模拟结果显示PIIK/Dioxane体系可实现液-液相分离。在理论模拟的支持下,采用热致相分离和冷冻干燥技术成功制备了不同密度的PIIK泡沫,其密度在80～300mg/cm3之间,平均孔径低于5μm。

4,4＇-dibromobenzophenone and p-phenylenediamine as the monomers,poly（imino imino ketone）（PIIK） was synthesized via palladium-catalyzed C-N cross coupling reaction （Mn = 35000, Mw ： 125000, Mw/Mn = 3. 57）. The thermally induced phase separation process of the PIIK/dioxane solution system was simulated by computation. Simulation results showed that liquid phase separation of PIIK/Dioxane could be realized. Under theoretical guidance, the freeze-drying technology was used to prepare PIIK foam material which density lied between 80-300mg/cm3 , the average aperture of the foam prepared was lower than 5μm.