油纸复合介质中水分子扩散行为的分子动力学模拟

对不同温度下水分子在油纸复合介质中的扩散行为进行了分子动力学模拟研究. 通过分析水分子与纤维素形成的氢键发现, 油中的水分子在模拟过程中会逐渐扩散到纤维素内并与之形成氢键, 而纤维素内的水分子则与纤维素形成氢键后被束缚于纤维素中. 通过分析水分子的扩散系数发现, 由于油和纤维素的极性不同, 使得水分子在油和纤维素两种单介质中的扩散行为有较大差别, 而在复合介质中的扩散系数受水分子在油和纤维素中的比例影响较大, 两者表现出很强的相关性. 水分子和两介质的相互作用与两介质的极性也存在很大的关系, 且不同温度下水分子与两介质的相互作用能和水分子在油和纤维素中的比例也表现出了较强的相关性. 不同温度下水分子的不同分布弱化了温度对扩散系数的影响.     

SEPARATION AND PURIFICATION OF LIGNIN BY MEANS OF ION EXCHANGE PROCESS

The effect of resin structure on desalination of lignin solution was investigated,the optimal structure of resin is as follows;cross linking degree as 4%,ratio of cationogen to anionogen is near 1.with such resin the desalination of lignin was produced very well because the resin has both molecule sieving and ion retardation properties.The sulfonation degress of lignin and total salt content of lignin solution were determinred with ion exchange technique,the relative error less than 1%.The salt content of small molecule in the lignin solution was calculated from sulfonation degree of lignin and total salt.Among gel and macroporous resins the best separation of lignin from reducing sugar was achieved with interpenetrating sulfonated resin 2×1.5×1.The separation of lignin with interpenetrating resin was carried out simultaneously with fractionation of lignin,the effect of fractionation with macroporous sulfonated resin is better than that with interpenetrating resin,but the former has a definite sorption of lignin which decreased the recovery of lignin.