PAMAM/lanthanide(Ⅲ) nanocomposite was studied by molecular simulation method. Molecular simulation enabled study of the lanthanide tetrad effect at atomic level. However, PAMAM dendrimer exhibiting unique properties such as nanometer size and highly functionalized terminal surface provided a novel space for lanthanide(Ⅲ) to show their peculiar tetrad effect. The results showed that total energies of PAMAM/lanthanide(Ⅲ) nanocomposites presented obvious tetrad effect and special double-double effect. Nd, Gd, and Er fell to the lower point and Gd fell to the lowest point in the TE-Ln curve with four groups. In order to explain the tetrad effect, kinetic energy (KE) and potential energy (PE) were analyzed. The KE curve consisted of three W-type parts (La～Pm, Pm～Tb, Tb～Tm, and the latter two W-type part were axial symmetry) and an exception part (Yb～Lu). It also showed that the KE of odd atomic number was higher than the even one′s with exception of Yb and Lu. Furthermore, decomposed potential energies gave out the atomic-level subtle difference of lanthanide which present more regulations for Eu(Ⅲ)～Lu(Ⅲ) compared with La(Ⅲ)～Sm(Ⅲ). And also Ho-valley and three platforms (Sm～Eu, Td～Dy, Er～Tm) were discovered that refect the regular change of nanocomposite structures. Additionally, there are distinct correlations between Ebond and EInversion, EAngle and EVDW, ETorsion and ECoul, respectively. Therefore, PAMAM could be used in separation of lanthanide by changing conditions.
This paper described the first example of polyamidoamine dendrimers ester (PAMAM) used as a gel electrolyte with a short-chain polyethylene glycol (MPEG-400) as a plasticizer. The polymer films are solid and sticky. Background cyclic voltammetry (CV) shows a potential window between +0.7 and -0.7 V vs. Ag/AgCl. The voltammetry of ferrocene and 7,7,8,8-tetracyanoquinodimethane (TCNQ) indicates that diffusion coefficients are in the range of 10-a-10-9 cm2/s.Ionic conductivities are approximately 10-6 S/cm. Similar films using dimethyl sulfoxide (DMSO) as a plasticizer instead of MPEG-400 have demonstrated ionic conductivities of 10-4 S/cra and reversible voltammetry. However, UV spectrophotometry shows that 70% of the DMSO is lost under vacuum, indicating the difficulty in quantifying the DMSO content when exposed to vacuum.
