CO2在氨基改性MIL-101(Cr)中吸附的分子模拟

采用实验与分子模拟结合的方法研究298 K下CO₂在氨基改性得到的MIL-101（Cr）-NH₂和MIL-101（Cr）-ED（ED：乙二胺）上的吸附性能。比较MIL-101（Cr）、MIL-101（Cr）-NH₂和MIL-101（Cr）-ED的吸附等温线与吸附热的结果,表明采用直接合成改性法得到的MIL-101（Cr）-NH₂比采用合成后再改性得到的MIL-101（Cr）-ED有更高的CO₂吸附容量。进一步比较密度分布图和径向密度分布曲线,分析CO₂在氨基改性MIL-101（Cr）中的吸附位,表明在低压下CO₂首先吸附在MIL-101（Cr）微孔的超级四面体中,随着吸附压力的增大逐渐填充到更大的孔中。氨基的存在增加了CO₂的吸附位点,使MIL-101（Cr）-NH₂具有较高CO₂吸附容量;同时MIL-101（Cr）-ED中的ED分子的存在增加了CO₂的吸附位点,使MIL-101（Cr）-ED也具有较高CO₂吸附容量;但是MIL-101（Cr）-ED中的ED分子占据了MIL-101（Cr）中Cr的吸附位点,使Cr对CO₂的吸附强度减弱,同时可吸附位点少于MIL-101（Cr）-NH₂,导致其对CO₂的吸附容量少于MIL-101（Cr）-NH₂。     

Epoxy networks modified by multifunctional polyhedral oligomeric silsesquioxanes (POSS) containing amine groups

The hydrolytic condensation of a precursor synthesized by the reaction of equimolar amounts of (3-aminopropyl)triethoxysilane and phenylglycidylether led to a distribution of polyhedral oligomeric silsesquioxanes (POSS) containing 8–11 Si atoms, functionalized with amine groups. About 57% of the NH functionalities were active for reaction with epoxy groups. The multifunctional amine-POSS was used to modify an epoxy network obtained by the homopolymerization of diglycidylether of bisphenol A initiated by benzyldimethylamine. The main effect of POSS modification was an increase in both the glassy and rubbery modulus explained, respectively, by the increase in cohesive energy and crosslink densities.     

介孔羟基磷灰石与氨基修饰碳点复合结构的制备及性能研究

通过在一定水热条件下混合介孔羟基磷灰石(Mesoporous hydroxyapatite,MHA)和氨基修饰碳点(N-CDs)得到了MHA/N-CDs复合结构.利用XRD、FHR和HRTEM的表征,证实了N-CDs成功嫁接到MHA表面.N2吸附-脱附和TEM的分析指出,MHA的介孔孔径为5 nm左右,且存在一定量的大孔结构.在可见光下催化降解亚甲基兰结果表明,复合体系的光催化能力大幅提高,约是N-CDs的两倍.     

CO2在氨基改性MIL-101(Cr)中吸附的分子模拟

采用实验与分子模拟结合的方法研究298 K下CO_2在氨基改性得到的MIL-101(Cr)-NH_2和MIL-101(Cr)-ED(ED:乙二胺)上的吸附性能。比较MIL-101(Cr)、MIL-101(Cr)-NH_2和MIL-101(Cr)-ED的吸附等温线与吸附热的结果,表明采用直接合成改性法得到的MIL-101(Cr)-NH_2比采用合成后再改性得到的MIL-101(Cr)-ED有更高的CO_2吸附容量。进一步比较密度分布图和径向密度分布曲线,分析CO_2在氨基改性MIL-101(Cr)中的吸附位,表明在低压下CO_2首先吸附在MIL-101(Cr)微孔的超级四面体中,随着吸附压力的增大逐渐填充到更大的孔中。氨基的存在增加了CO_2的吸附位点,使MIL-101(Cr)-NH_2具有较高CO_2吸附容量;同时MIL-101(Cr)-ED中的ED分子的存在增加了CO_2的吸附位点,使MIL-101(Cr)-ED也具有较高CO_2吸附容量;但是MIL-101(Cr)-ED中的ED分子占据了MIL-101(Cr)中Cr的吸附位点,使Cr对CO_2的吸附强度减弱,同时可吸附位点少于MIL-101(Cr)-NH_2,导致其对CO_2的吸附容量少于MIL-101(Cr)-NH_2。     

Anionic Synthesis of Primary and Secondary Amine-Functionalized Polymers Using Imine Chemistry

There has been growing interest and research on new synthetic methods for thepreparation of well-defined polymers with chain-end functional groups[1～ 7] . Thesefunctional groups in polymers can participate in reversible ionic association;chainextension,branching,or crosslinking reactions with polyfunctional reagents;couplingand linking with reactive groups in other oligomer or polymer chains;and initiation ofpolymerization of other monomers[4～ 6] . The methodology of living anionic polyme-ri…