分子动力学模拟聚电解质在聚苯乙烯微球表面吸附.pdfVIP

第27 卷 第3期 总第119期 V o l1 27 N o1 3 Jo urnal o f Mat er ials Science Eng ineer ing J un . 20 09 : 1673- 2812( 2009) 03-0329- 04 1 2 1 2 1 1 ( 1. 710072; 2. 710072) = M ater ials Stu dio P DAD M A C P S PS PDA DM A C PS P S- PDA DM A C PS- PDA DM A C E P S- PDA D MA C E PS- SO -P DA DM A C 3 160kJ/ mol - 90kJ/ mol PDA DM A C P S = ; ; ; : O 64 1. 3 : A Molecular Dynamics Simulation of Adsorption of Polyelectrolyte on the Polystyrene Microspheres 1 2 1 2 1 1 HAOWen , HANG Qiu-yu , CHEN Tao , HANGJun-ping , LU Ting-li , HANGHong (1. Faculty of Life Science, Northwestern Polytechnical University, Xi. an 710072, China; 2. Department of Applied Chemistry, School of Science, Northwestern Polytechnical University, Xi. an 710072, China) = Abstract A dso rptio ns of cat ion po ly electro ly te ( PDA DM A C) onto the polysty rene m icrospher es and sulf o nated po ly st yrene m icro spheres w er e simulated by the M aterials Stu dio softw are resp ectively. T he co nf igurat ion s o f the PDA DM A C after adsor ption b alance w ere comp ared w hich indicates th at the ab sorbed P DA DM A C mo lecular on the sulf o nated po ly st yrene m icro spheres w as unf olded and ho mogenou s . Int eractio n energ ies co rr esponding t o these tw o sy stem s w er e al so calculated. T he values of E PS- PDA D MA C and E PS-SO -PDAD MA C are ar ound