Synthesis and characterization of dithienobenzothiadiazole-based donor–acceptor conjugated polymers for organic solar cell applications

New donor–acceptor conjugated polymers (P1 and P2) containing a fused-ring dithienobenzothiadiazole (DT-BTD building block) were synthesized by using the Stille copolymerization method. The synthesized polymers were characterized by ¹H NMR, GPC, and elemental analysis. The optical band gaps of the polymers were found to be 1.86 and 1.9 eV, respectively, as calculated from their film onset absorption edge. Upon annealing both produced a distinct shoulder peak in their film absorption spectra. The electrochemical studies of P1 and P2 revealed that the HOMO and LUMO energy levels of the polymer were −5.3, −5.1 eV, and −3.4, −3.2 eV, respectively. The polymers are thermally stable up to 250–350 °C.     

Nanoporous Materials Can Tune the Critical Point of a Pure Substance

Molecular simulations and NMR relaxometry experiments demonstrate that pure benzene or xylene confined in isoreticular metal–organic frameworks (IRMOFs) exhibit true vapor–liquid phase equilibria where the effective critical point may be reduced by tuning the structure of the MOF. Our results are consistent with vapor and liquid phases extending over many MOF unit cells. These results are counterintuitive since the MOF pore diameters are approximately the same length scale as the adsorbate molecules. As applications of these materials in catalysis, separations, and gas storage rely on the ability to tune the properties of adsorbed molecules, we anticipate that the ability to systematically control the critical point, thereby preparing spatially inhomogeneous local adsorbate densities, could add a new design tool for MOF applications.     

色散耦合道光学模型对28Si的核子散射数据分析

在光学势中引入色散关系, 相比于通常的耦合道光学模型, 极大地减少了光学势 参数的个数. 采用基于软旋转子模型的耦合道方法对较轻形变核²⁸Si核的中子和质子散射实验数据进行了计算分析, 拟合得到一组色散光学势参数. 计算的中子总截面、以及中子、质子的弹性与非弹性散射微分截面与实验数据有较好的符合.     

Three Saponins, a Steroid, and a Flavanol Glycoside from Achyrantes aspera

Summary.  Three bisdesmosidic saponins, 20-hydroxyecdysone, and quercetin-3-O-β-D-galactoside were isolated from the methanol extract of the aerial parts of Achyranthes aspera L. (Amaranthaceae). Their structures were established on the basis of NMR spectroscopic analysis; the complete ¹H and ¹³C assignments of the compounds were achieved by means of 2D NMR studies. Received July 21, 1999. Accepted August 26, 1999     

Low temperature magnetic structure of MnSe

In this paper we report low temperature neutron diffraction studies on MnSe in order to understand the anomalous behaviour of their magnetic and transport properties. Our study indicates that at low temperatures MnSe has two coexisting crystal structures, high temperature NaCl and hexagonal NiAs. NiAs phase appears below 266 K and is antiferromagnetically ordered at all temperatures while the NaCl phase orders antiferromagnetically at 130 K.     

Sparse Long Blocks and the Micro-structure of the Longuest Common Subsequences

Consider two random strings having the same length and generated by an iid sequence taking its values uniformly in a fixed finite alphabet. Artificially place a long constant block into one of the strings, where a constant block is a contiguous substring consisting only of one type of symbol. The long block replaces a segment of equal size and its length is smaller than the length of the strings, but larger than its square-root. We show that for sufficiently long strings the optimal alignment (OA) corresponding to a longest common subsequence (LCS) treats the inserted block very differently depending on the size of the alphabet. For two-letter alphabets, the long constant block gets mainly aligned with the same symbol from the other string, while for three or more letters the opposite is true and the block gets mainly aligned with gaps. We further provide simulation results on the proportion of gaps in blocks of various lengths. In our simulations, the blocks are “regular blocks” in an iid sequence, and are not artificially inserted. Nonetheless, we observe for these natural blocks a phenomenon similar to the one shown in case of artificially-inserted blocks: with two letters, the long blocks get aligned with a smaller proportion of gaps; for three or more letters, the opposite is true. It thus appears that the microscopic nature of two-letter OAs and three-letter OAs are entirely different from each other.     

Potential of membrane distillation in seawater desalination: Thermal efficiency,sensitivity study and cost estimation

In this work, an extensive analysis on direct contact membrane distillation (DCMD) performance was developed to estimate the mass flux and the heat efficiency, considering transport phenomena, membrane structural properties and most sensitive process parameters, with the aim to provide optimization guidelines for materials and methods. The results showed that an increase of the temperature gradient resulted in the enhancement of both transmembrane flux and thermal efficiency. The investigation of the effects of membrane properties confirmed that better DCMD performance was achieved when using polymeric membranes characterized by low thermal conductivity (flux and thermal efficiency declined by 26% and 50%, respectively, when increasing thermal conductivity from 0.1 to 0.5 W/m K), and high porosity. An optimal thickness value (around 0.7 mm) was identified when operating at low temperature gradient (<5 °C). However, at higher temperature gradient (>10 °C), increasing the membrane thickness from 0.25 to 1.55 mm resulted in a flux decay of about 70% without a significant improvement in thermal efficiency.