Molecularly imprinted polymers(MIPs)using p-hydroxybenzoic acid(p-HB)as template，4-vinylpyridine(4-VP)，acrylamide(AM)and α-methylacrylic acid(MAA)as functional monomers were prepared separately. First，the binding energy of p-HB with the above monomers is calculated by using the molecular mechanics method. The order of binding energy of p-HB with different monomers is 4-VP>AM>MAA. Second，the interaction strength between p-HB and different monomers is studied by UV analysis， which is in the same order（4-VP>AM>MAA）.Third， the static adsorption experiments of the MIPs using 4-VP，AM or MAA as functional monomer show that the binding capacity order of these MIPs is also 4-VP>AM>MAA，the same with those from molecular mechanics calculation and UV analysis.  The results demonstrate that 4-VP is the best among the three monomers对羟基苯甲酸

分子印迹聚合物

功能单体

分子力学计算

吸附