采用分子动力学的理论方法,从微观分子相互作用的层面研究了 PAM/PVA 共混体系,分别从组分间的相容性、结合能以及对相关函数分析3方面阐述了共混体系间相互作用的机理及本质,通过对组分不同质量配比体系的静态力学分析,研究了组分不同质量配比对体系力学性能的影响。结果表明,PAM 与PVA 组成的共混物相容性极好,而体系中单组分间的结合能随着 PVA 含量的增加反而减小,主要原因是质量相同的 PAM 链所含极性官能团的数目要高于 PVA链；此外,对相关函数分析表明,单组分间主要是通过氢键形成相互作用,且共混体系中酰胺基(—NH 2)、羰基(—C ??O)、羟基(—OH)官能团与周围 H 原子形成氢键的可能性关系为 O (－C＝O)＞ O (－OH)＞N(－NH2),这也是酰胺基(—NH 2)、羰基(—C ?? O )、羟基(—OH)官能团极性强弱关系的反映；单组分不同质量配比模型的静态力学分析表明,随着共混体系中 PVA组分含量的增加,体系弹性系数、各项工程模量、柯西压值均呈上升趋势,即 PVA 含量的增加可以明显改善PAM 的力学性能及其延展性。
The theoretical method of molecular dynamics was applied to study the PAM/PVA blends at the level of microscopic molecular interaction.The interaction mechanism and nature of PAM/PVA blends are elaborated from the aspects of the compatibility,binding energy and the correlation function analysis,respectively.We have analyzed the static mechanics of system with different quality components,and studied the effects of dif-ferent quality components on the mechanical properties of system.Results show that the compatibility between PAM and PVA was very good,and the binding energy between the single component of system is decreased with the increase of PVA content,the main reason is that the number of polar functional groups contained in a PAM chain was higher than the same quality PVA chain.In addition,the analysis of the correlation function shows that the single component interacts with each other mainly by hydrogen bonds,and the possibility rela-tionship of the hydrogen bond which formed between the amine groups (—NH 2 ),carbonyl groups (—C ??O), hydroxyl groups (—OH)and the hydrogen atoms around them was O (-C=O)>O (-OH)>N(-NH2 ).This was a re-flection of the polarity relationship among the amide groups,carbonyl groups and hydroxyl groups.The static mechanical results of models with different component quality ratio show that,with the increase of PVA con-tent,the elastic coefficient,the various engineering modulus and cauchy pressure value are all increased,name-ly the increase of PVA content can significantly improve the mechanical properties and ductility of PAM.
参考文献
| [1] | 冷晴,林建明,吴季怀,许开卿,黄妙良.聚丙烯酰胺/丙烯酸钾互穿网络多孔水凝胶的制备和性能[J].材料导报,2011(20):28-31. |
| [2] | Hron P.;Smetana K.;Dvorankova B.;Lopour P.;Slechtova J. .SILICONE RUBBER HYDROGEL COMPOSITES AS POLYMERIC BIOMATERIALS .9. COMPOSITES CONTAINING POWDERY POLYACRYLAMIDE HYDROGEL[J].Biomaterials,1997(15):1069-1073. |
| [3] | Labarre D;Laurent A;Lautier A;Bouhni S;Kerbellec L;Lewest JM;Tersinet N .Complement activation by substituted polyacrylamide hydrogels for embolisation and implantation.[J].Biomaterials,2002(11):2319-2327. |
| [4] | 田帅,单国荣,王露一.PVA改性PAMPS-PAM超高力学性能双网络水凝胶的制备[J].高分子学报,2010(10):1175-1179. |
| [5] | Isadora Reis Rodrigues;Maria Madalena de Camargo Forte;Denise Scherman Azambuja;Katia R.L. Castagno .Synthesis and characterization of hybrid polymeric networks (HPN) based on polyvinyl alcohol/chitosan[J].Reactive & functional polymers,2007(8):708-715. |
| [6] | Yu-Feng Tang;Yu-Min Du;Xian-Wen Hu .Rheological characterisation of a novel thermosensitive chitosan/poly(vinyl alcohol)blend hydrogel[J].Carbohydrate Polymers: Scientific and Technological Aspects of Industrially Important Polysaccharides,2007(4):491-499. |
| [7] | Congming Xiao;Meiling Yang .Controlled preparation of physical cross-linked starch-g-PVA hydrogel[J].Carbohydrate Polymers: Scientific and Technological Aspects of Industrially Important Polysaccharides,2006(1):37-40. |
| [8] | Kjoniksen AL.;Nystrom B. .EFFECTS OF POLYMER CONCENTRATION AND CROSS-LINKING DENSITY ON RHEOLOGY OF CHEMICALLY CROSS-LINKED POLY(VINYL ALCOHOL) NEAR THE GELATION THRESHOLD[J].Macromolecules,1996(15):5215-5222. |
| [9] | Jaw alkar S S;Aminabhavi T M .Molecular modeling sim-ulations and thermodynamic approaches to investigate compatibility/incompatibility of poly(1-lactide)and poly(vinyl alcohol)blends[J].POLYMER,2006,47(23):8061-8071. |
| [10] | Pouyan Motamedi;Reza Bagheri .Investigation of the nanostructure and mechanical properties of polypropylene/polyamide 6/layered silicate ternary nanocomposites[J].Materials & design,2010(4):1776-1784. |
| [11] | Martinez de Arenaza, I.;Meaurio, E.;Coto, B.;Sarasua, J.-R. .Molecular dynamics modelling for the analysis and prediction of miscibility in polylactide/polyvinilphenol blends[J].Polymer: The International Journal for the Science and Technology of Polymers,2010(19):4431-4438. |
| [12] | 魏庆华,汪焰恩,杨明明,魏生民.HA/PLA复合材料界面相互作用及其力学性能的MD模拟[J].功能材料,2013(21):3089-3093,3098. |
| [13] | Sun H .Compass:an ab initio force-field optimied for condensed-phase application-Overview with details on al-kane and benzene compounds[J].The Journal of Physical Chemistry(B)Materials Surfaces Interfaces & Physical,1998,102:7338-7364. |
| [14] | Andersen H C .Molecular dynamics simulations at con-stant pressure and/or temperature[J].Journal of Chemi-cal Physics,1980,72:2374-2383. |
| [15] | Tosi M P .Cohesion of ionic solids in the Born model[J].Solid State Physics,1964,16:1-120. |
| [16] | Ewald P P .Evaluation of optical and electrostatic lattice potentials[J].Annals of Physic,1921,64:253-287. |
| [17] | Fang Zhengping;Song Yihu;Shen Lie.Polymer Physics[M].Hangzhou:Zhejiang University Press,2005:43-47. |
| [18] | Swenson R J .Comments on virial theorems for bounded systems[J].AMERICAN JOURNAL OF PHYSICS,1983,5 1:940-942. |
| [19] | Jin Rihua;Hua Youqing.Polymer physics(second edi-tion)[M].北京:化学工业出版社,2000 |
| [20] | Weiner J H.Statistical mechanics of elasticity[M].New York:Dover Publications Inc,2002 |
- 下载量()
- 访问量()
- 您的评分：
-
10%
-
20%
-
30%
-
40%
-
50%