Reduction of surface coverage of finite systems due to geometrical steps

The coverage of vicinal, stepped surfaces with molecules is simulated with the help of a two-dimensional Ising model including local distortions and an Ehrlich-Schwoebel barrier term at the steps. An effective two-spin model is capable to describe the main properties of this distorted Ising model. It is employed to analyze the behavior of the system close to the critical points. Within a well-defined regime of bonding strengths and Ehrlich-Schwoebel barriers we find a reduction of coverage (magnetization) at low temperatures due to the presence of the surface step. This results in a second, low-temperature transition besides the standard Ising order-disorder transition. The additional transition is characterized by a divergence of the susceptibility as a finite-size effect. Due to the surface step the mean-field specific heat diverges with a power law.     

Spontaneous-search method and short-time dynamics: applications to the Domany-Kinzel cellular automaton

The one-dimensional Domany-Kinzel cellular automaton is investigated by two numerical approaches: (i) the spontaneous-search method, which is a method appropriated for a search of criticality; (ii) short-time dynamics. Both critical frontiers of the system are investigated, namely, the one separating the frozen and active phases, as well as the critical line determined by damage spreading between two cellular automata, that splits the active phase into the nonchaotic and chaotic phases. The efficiency of the spontaneous-search method is established herein through a precise estimate of both critical frontiers, and in addition to that, it is shown that this method may also be used in the determination of the critical exponent ν_⊥. Using the critical frontiers obtained, other exponents are estimated through short-time dynamics. It is verified that the critical exponents of both critical frontiers fall in the universality class of directed percolation.     

Phase behaviour of a dispersion of charge-stabilised colloidal spheres with added non-adsorbing interacting polymer chains

We present a theory for the phase behaviour of mixtures of charge-stabilised colloidal spheres plus interacting polymer chains in good and θ -solvents within the framework of free-volume theory. We use simple but accurate combination rules for the depletion thickness around a colloidal particle and for the osmotic pressure up to the semi-dilute concentration regime. Hence, we obtain expressions for the free energy for mixtures of charged colloidal particles and non-adsorbing interacting polymers. From that, we calculate the phase behaviour, and discuss its topology in dependence on the competition between the charge-induced repulsion and the polymer-induced attraction. The homogeneous mixture of colloids and polymers becomes more stabilised against demixing when increasing the electrostatic repulsion. This charge-induced stabilisation is strongest for small polymer-to-colloid size ratios and is more pronounced for charged colloids mixed with polymers in a good solvent than for polymers in a θ -solvent. For the weakly charged regime we find that the phase diagram becomes salt-concentration-independent in the protein limit for charged colloids plus polymers in a θ -solvent. The liquid window, i.e., the concentration regimes where a colloidal liquid exists, is narrowed down upon increasing the charge-induced repulsion. Also this effect is more pronounced when charged colloids are mixed with polymer chains in a good solvent. In summary, we demonstrate that the solvent quality significantly influences the phase behaviour of mixtures of charged colloids plus non-adsorbing polymers if the range of the screened electrostatic repulsion becomes of the order of the range of the depletion-induced attraction.     

Field-theoretical Renormalization-Group approach to critical dynamics of crosslinked polymer blends

We consider a crosslinked polymer blend that may undergo a microphase separation. When the temperature is changed from an initial value towards a final one very close to the spinodal point, the mixture is out equilibrium. The aim is the study of dynamics at a given time t, before the system reaches its final equilibrium state. The dynamics is investigated through the structure factor, S(q, t), which is a function of the wave vector q, temperature T, time t, and reticulation dose D. To determine the phase behavior of this dynamic structure factor, we start from a generalized Langevin equation (model C) solved by the time composition fluctuation. Beside the standard de Gennes Hamiltonian, this equation incorporates a Gaussian local noise, ζ. First, by averaging over ζ, we get an effective Hamiltonian. Second, we renormalize this dynamic field theory and write a Renormalization-Group equation for the dynamic structure factor. Third, solving this equation yields the behavior of S(q, t), in space of relevant parameters. As result, S(q, t) depends on three kinds of lengths, which are the wavelength q ⁻¹, a time length scale R(t) ∼ t ^1/z , and the mesh size ξ ^*. The scale R(t) is interpreted as the size of growing microdomains at time t. When R(t) becomes of the order of ξ ^*, the dynamics is stopped. The final time, t ^*, then scales as t ^* ∼ ξ ^{* z}, with the dynamic exponent z = 6−η. Here, η is the usual Ising critical exponent. Since the final size of microdomains ξ ^* is very small (few nanometers), the dynamics is of short time. Finally, all these results we obtained from renormalization theory are compared to those we stated in some recent work using a scaling argument.     

生物电化学系统降解多环芳烃萘及微生物群落研究

采用单室空气阴极微生物燃料电池(MFC)反应器构型, 以不同浓度萘为基底物质, 考察MFC的产电性能、 萘降解率、 化学需氧量(COD)和总有机碳含量(TOC)降解率及MFC阴阳极微生物活性和多样性. 结果表明, 循环伏安曲线受不同浓度萘的影响变化较为明显, 随着萘浓度的增大, 最大功率密度呈下降趋势, 且萘对MFC的阴极电极电势影响较大; 当萘的浓度为15 mg/L时, MFC最大功率密度可达(645.841±28.08) mW/m ²; 对萘的降解率高达100%, 且MFC对COD和TOC的降解率随着萘浓度的提高而增大, 但是增大的速率逐渐减小. 对MFC阳极微生物膜进行高通量测序发现, Geobacter是优势菌属, 相对丰度达81%, 阴极主要以Aquamicrobium为主.     

基于波普尔证伪思想视角下的化学课堂教学

结合实例介绍了基于波普尔证伪思想视角下的化学课堂教学,具体教学形式包括：教学预设与生成不一致时,用证实或证伪进行验证;教学设计中埋下教学冲突,给学生创造出证伪机会;充分利用实验探究功能,通过证伪提升原理认识;引导学生自主合作学习时,相互质疑、讨论、释疑、证伪。波普尔证伪思想对化学教学具有一定的启示作用：发展学生的批判思维是化学教学的应有之义;培育学生的创新意识是化学教学的重要职责。     

Computing the Abel map

We present the next step in an ongoing research program to allow for the black-box computation of the so-called finite-genus solutions of integrable differential equations. This next step consists of the black-box computation of the Abel map from a Riemann surface to its Jacobian. Using a plane algebraic curve representation of the Riemann surface, we provide an algorithm for the numerical computation of this Abel map. Since our plane algebraic curves are of arbitrary degree and may have arbitrary singularities, the Abel map of any connected compact Riemann surface may be obtained in this way. This generality is necessary in order for these algorithms to be relevant for the computation of the finite-genus solutions of any integrable equation.     

FTIR-ATR investigations of an α-helix to β-sheet conformational transition in poly(l-lysine)

A promising application of the multivariate curve resolution based on alternating least squares (MCR-ALS) method is reported for the analysis of the temperature-dependent conformational changes in poly(l-lysine) (PLL). The MCR-ALS approach has enabled detection of three structural components developed during the melting experiment. Most important is an infrared signature of the intermediate component described as a mixture of native α-helical conformation and its extended forms.     

In situ monitoring of nucleation and evolution of Ge nanodots on faintly oxidized Si(1 1 1) surfaces

We have investigated the nucleation and evolution of germanium (Ge) nanodot (ND)s taking place while depositing Ge onto the silicon (Si) (1 1 1) surfaces with ultra-thin Si oxide films by using ultra-high vacuum in situ high-resolution transmission electron microscopy in the profile-imaging geometry. Various types of growth phenomena such as nucleation, growth and coalescence of Ge NDs have successfully been observed. The results show that the growth phenomena of the Ge NDs are dramatically rapid after their size reaches the size of the critical nucleus. The critical nucleus size estimated from a model using the cohesive energy of the Ge NDs has been consistent with observed one.