Effect of additive length and chemistry on the morphology of blends of conjugated thiophenes and fullerene derivative acceptor molecules

Small molecule additives have been shown to increase the device efficiency of conjugated polymer (donor) and fullerene derivative (acceptor) based organic solar cells by modifying the morphology of the device active layer. In this paper we conduct a systematic study of how additives affect the donor‐acceptor morphology using molecular dynamics simulations of blends of thiophene‐based oligomers, mimicking poly(3‐dodecylthiophene) (P3DDT) or poly(2,2′:5′,2”‐3,3”‐didocyl‐terthiophene) (PTTT), and fullerene derivatives with additives of varying length and chemical functionalization, mimicking experimentally used additives like methyl ester additives, diiodooctane, and alkanedithiols. We find that functionalization of additives with end groups that are attracted to acceptor molecules are necessary to induce increased donor‐acceptor macrophase separation. In blends where acceptors intercalate between oligomer alkyl side chains, functionalized additives decrease acceptor intercalation. Functionalized additives with shorter alkyl segments increase acceptor macrophase separation more than additives with same chemical functionalization but longer alkyl segments. © 2015 Wiley Periodicals, Inc. J. Polym. Sci., Part B: Polym. Phys. 2015 , 53, 1046–1057     

Ergodic properties and thermodynamic behavior of elementary reversible cellular automata. I. Basic properties

This is the first part of a series devoted to the study of thermodynamic behavior of large dynamical systems with the use of a family of fully-discrete and conservative models named elementary reversible cellular automata (ERCAs). In this paper, basic properties such as conservation laws and phase space structure are investigated in preparation for the later studies. ERCAs are a family of one-dimensional reversible cellular automata having two Boolean variables on each site. Reflection and Boolean conjugation symmetries divide them into 88 equivalence classes. For each rule, additive conserved quantities written in a certain form are regarded as a kind of energy, if they exist. By the aid of the discreteness of the variables, every ERCA satisfies the Liouville theorem or the preservation of phase space volume. Thus, if an energy exists in the above sense, statistical mechanics of the model can formally be constructed. If a locally defined quantity is conserved, however, it prevents the realization of statistical mechanics. The existence of such a quantity is examined for each class and a number of rules which have at least one energy but no local conservation laws are selected as hopeful candidates for the realization of thermodynamic behavior. In addition, the phase space structure of ERCAs is analyzed by enumerating cycles exactly in the phase space for systems of comparatively small sizes. As a result, it is revealed that a finite ERCA is not ergodic, that is, a large number of orbits coexist on an energy surface. It is argued that this fact does not necessarily mean the failure of thermodynamic behavior on the basis of an analogy with the ergodic nature of infinite systems.     

Preparation and characterization of acrylic‐based black particles of poly(methyl methacrylate‐co‐ethylene glycol dimethacrylate) by dispersion polymerization for electrophoretic displays

Ultrafine black particles, ranging in diameter from 1 to 3 μm, were prepared by dispersion polymerization in a methanol/water mixture with vinyl monomers, nonpolymerizable Sudan black B dyes, and fluorescein isothiocyanate labeled charge control additives. Both the ratio of the methanol to the water dispersion medium and the polymeric stabilizer concentration had significant effects on the particle size. The important role of the stabilizer concentration lay in the particle formation step, during which it determined the particle stability and final particle size. These could affect the extent of the aggregation of nuclei by changing the adsorption rate of the stabilizer and the viscosity of the dispersion medium, resulting in smaller particles. The fluorescent‐labeled charge control additives strongly affected the electrophoretic mobility. A small concentration of fluorescent‐labeled charge control additives increased the electrophoretic mobility. However, a further addition reduced the electrophoretic mobility of the polymer particles. The concentration dependence of the fluorescent‐labeled charge control additives on the deposition behavior in the polymer particles was successfully imaged and thereafter quantified by image analysis. © 2004 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 42: 5608–5616, 2004     

Finitely additive integration and local integration with respect to upper integrals

Summary We study the integration theory for general integral metrics when restricted to upper integrals q, finding improvements in the relation between the classes of the q-integrable and the q_l-integrable functions. We give new results and notions which lead to the desirable characterizations of q-integrable functions as q_l-integrable f with q(|f|) < ∞, and of q_l-integrable functions via the integrability of their upper truncations, under natural conditions which are fulfilled in most finitely additive integration theories.     

新疆红景天红色素的提取及理化性质的研究

对用索氏提取法和乙醇浸取法提取红景天红色素进行了比较，并探讨浸取的浓度，浸取温度等因素，指出了最佳生产工艺条件，从红景天中提取的天红色素是一种安全无毒的食用色素，本文还研究了几种食品添加剂对红景天红色素稳定性的影响，并对色素的耐氧化性进行了探讨，旨在为红景天红色素的开发利用提供有实用价值的信息。     

添加剂在氧化铈抛光中的作用机理的探索

本文在试验基础上,对添加剂在氧化铈抛光中作用机理—提高氧化铈抛光效率的机理和防止玻璃抛光表面腐蚀的机理作了探索,指出在一定的抛光工艺条件下,每一种添加剂对于一定品位的氧化铈和一定牌号的光学玻璃有一最佳的加入量。     

B（X）上保点谱的可加映射和初等算子

记Ｘ为复数域上无限维Ｂａｎａｃｈ空间，Ｈ为无限维复可分Ｈｉｌｅｒｔ空间。本文给出Ｂ（Ｘ）上保持点谱的满射可加射具有的形式，以及Ｂ（Ｈ）上某些初等算子保点谱的充要条件。     

Catalytic Activity of Nickel Alloys in Anodic Oxidation of the Hypophosphite Ion as a Function of Their Composition

The rate of anodic oxidation of the hypophosphite ion on alloys Ni-P, Ni-B, and Ni-Mo-P is studied as a function of their composition and structure. The organic compounds that are customarily used to stabilize electrolytes of electroless nickel plating are shown to come useful when controlling composition of the Ni-P coatings at the expense of their different influence on the rates of partial processes of deposition of the alloy components. The formation of catalytic activity of such coatings is affected mostly by a structural factor. With alloys Ni-P, Ni-B, and Ni-Mo-P, whose composition was varied by altering the concentration of the source of the alloying component, dependence of catalytic activity of the surface on the composition is defined mainly by an electronic factor.__________Translated from Elektrokhimiya, Vol. 41, No. 8, 2005, pp. 972–980.Original Russian Text Copyright © 2005 by Sotskaya, Dolgikh, Ryabinina.     

负关联噪声驱动下单模激光的定态分析

研究了负关联的加法和乘法高斯白噪声驱动下单模激光损失模型的定态情况。文中推导了负关联情况下，定态时的激光场幅的几率分布，光强的平均值，光强的协方差以及光强的偏斜率。并和文献〔１，２〕中正关联时的定态分析作了比较，发现了有意义的新现象。     

催化裂化USY／ZnO／Al2O3脱硫添加剂的高温水热失活

 对USY／ZnO／Al2O3汽油催化裂化脱硫添加剂经高温水热老化处理前后的脱硫性能进行了考察，发现老化后添加剂的脱硫性能大幅度下降．采用XRD和IR等技术对USY／ZnO／Al2O3添加剂在高温和高温水热条件下失活的原因进行了研究．结果表明，在高温下，ZnO可与USY沸石中的铝发生固相反应生成ZnAl2O4尖晶石，从而造成USY晶体结构崩塌，转变成无定形状态．在ZnO含量较高的条件下，ZnO可继续与USY晶体结构崩塌后生成的无定形的硅和铝的氧化物反应，生成Zn2SiO4硅锌矿和ZnAl2O4尖晶石结构．这一方面使添加剂失去了可形成硫化物吸附中心的ZnO，另一方面破坏了硫化物的裂化活性组分USY，从而造成添加剂脱硫性能下降甚至失去脱硫活性．ZnO对USY的破坏作用主要与温度有关．在USY／ZnO／Al2O3体系中，ZnO被ZnO与Al2O3之间形成的锌铝尖晶石膜固定并与USY隔离，单纯的高温条件对添加剂的破坏不显著，而水蒸气可以促进ZnO的移动，有利于ZnO与USY的接触，因此在高温和有水蒸气存 在的条件下添加剂的结构易遭到破坏．