含锆碳硅陶瓷先驱体的半经验理论研究

采用PM6方法对添加了配体Zr(AcAc)4,Zr(NH(C2H5))4,ZrCp2Cl2,ZrCp2ClH形成的16种含锆碳硅陶瓷先驱体(PZCS)和PCS(10)的几何结构、电子属性、反应能进行了系统的理论研究,结果表明:(1)大体积的Zr(AcAc)4带来的的空间效应并未过多的影响Si—Zr键的键长;(2)从单配体衍生物到对应的多配体衍生物HOMO-LUMO能隙趋向于减小,配体Zr(NH(C2H5))4得到的衍生物的能隙下降幅度最大.ZrCp2Cl2得到的衍生物的能隙比对应的ZrCp2ClH的能隙要大;(3)16种PZCS的反应能均为负值,随配体数的增加,Zr(NH(C2H5))4的衍生物的反应能减小,而其他三种配体的衍生物的反应能增大.     

轻质储氢材料改性与热力学调控进展

为解决环境与能源问题,氢能作为一种理想的二次能源,受到国内外研究者的关注.众多储氢方式中,固态储氢能量密度高、安全性好,被认为是最具有发展前景的储氢方式之一.由轻质元素组成的储氢材料(包含金属氢化物、硼氢化物、铝氢化物、氨基氢化物、氨硼烷)因其具有高的储能密度成为储氢领域的研究热点.本文从热力学角度出发,对几种轻质储氢材料的研究进展,尤其是材料的改性进行了总结,并对轻质储氢材料的发展趋势进行了展望.     

Preparation of Oxidized Organosolv Lignin⁃based Hydrophilic Sizing Agent and Its Application in Polypropylene北大核心CSCD

The interfacial compatibility of carbon fiber （CF） reinforced composites is the key factor to determine the comprehensive properties of the composites. The sizing agent plays an indispensable role between carbon fibers and matrix resins. Environmentally friendly hydrophilic sizing agent is is a hot research issue to be solved. In this work,the hydrophilic lignin-based sizing agent and carbon fiber reinforced polypropylene （PP） composites are prepared and studied. The lignin is ozonized to increase the reactive group. The obtained lignin reacts with epoxy group to prepare the oxidized organic solvent lignin based epoxy resin（OLBE）. OLBE reacts with alcohol amine and carboxylic acid to obtain the hydrophilic lignin-based sizing agent. KH550 is further added to balance the hygroscopicity of sizing agent. Finally,an oxidized organic solvent lignin-based hydrophilic sizing agent（OLBEDK）with excellent stability was prepared. The CF treated with 2. 5% solid content OLBEDK was only 3. 0 mg. The ILSS,Flexural strength,Flexural modulus and Impact strength of CF/PP composites are increased by 50. 8%,34. 2%,53. 7% and 127. 8%, respectively,compared with those of CF/PP composites without sizing. This is attributed to the π-π conjugation between the benzene ring of lignin and the carbon six-membered ring of CF,and the physical entanglement between the alkyl chain of KH550 and the molecular chain of PP,which enhances the interfacial interaction between CF and PP effectively. © 2022, Science Press (China). All rights reserved.