Ultrafast two-dimensional infrared vibrational echo chemical exchange experiments and theory

Ultrafast two-dimensional (2D) infrared vibrational echo experiments and theory are used to examine chemical exchange between solute-solvent complexes and the free solute for the solute phenol and three solvent complex partners, p-xylene, benzene, and bromobenzene, in mixed solvents of the partner and CCl4. The experiments measure the time evolution of the 2D spectra of the hydroxyl (OD) stretching mode of the phenol. The time-dependent 2D spectra are analyzed using time-dependent diagrammatic perturbation theory with a model that includes the chemical exchange (formation and dissociation of the complexes), spectral diffusion of both the complex and the free phenol, orientational relaxation of the complexes and free phenol, and the vibrational lifetimes. The detailed calculations are able to reproduce the experimental results and demonstrate that a method employed previously that used a kinetic model for the volumes of the peaks is adequate to extract the exchange kinetics. The current analysis also yields the spectral diffusion (time evolution of the dynamic line widths) and shows that the spectral diffusion is significantly different for phenol complexes and free phenol.     

pH-Dependent rectification in self-assembled monolayers based on electrostatic interactions

Asymmetric electrostatic interactions dependent on pH between the redox molecules and the terminal group on the top of the self-assembled monolayer (SAM) afford control of the electron transfer property of the SAM having the imidazole terminal group.     

Spatial distribution multimedia fate model: Numerical aspects and ability for spatial analysis

A spatial distribution multimedia fate model is proposed for the rigorous simulation of the environmental multimedia fate of hazardous chemicals emitted from a variety of sources. To solve the relevant equation, we introduce an explicit finite difference method applied to uniform grids. We assessed the numerical properties of the model, including stability and accuracy. A new dimensionless number (multimedia transport number) is proposed for determining the numerical stability of the unsteady-state method. The model was verified by comparison with analytical solutions for the transport of non-conservative substances in two-phase open-channel flow. The spatial resolution of the spatial distribution model was tested via a comparison with a general multimedia fate model in a practical application related to toluene emissions in Seoul, South Korea.     

Thin-thick surface phase coexistence and boundary tension of the square-well fluid on a weak attractive surface

Prewetting transition is studied for the square-well fluid of attractive-well diameter lambda(ff)sigma(ff)=1.5 in the presence of a homogeneous surface modeled by the square-well potential of attractive well from 0.8sigma(ff) to 1.8sigma(ff). We investigate surface phase coexistence of thin-thick film transition using grand-canonical transition matrix Monte Carlo (GC-TMMC) and histogram reweighting techniques. Molecular dynamics (MD) and GC-TMMC are utilized to predict the properties of the fluid for various surface fluid affinities. Occurrences of prewetting transition with the variation of surface affinity are observed for a domain of reduced temperature from T(*)=0.62 to 0.75. We have used MD and GC-TMMC+finite size scaling (FSS) simulations to calculate the boundary tension as a function of temperature as well as surface affinity. Boundary tensions via MD and GC-TMMC+FSS methods are in good agreement. The boundary tension increases with the decrease of wall-fluid affinity. Prewetting critical properties are calculated using rectilinear diameter approach and scaling analysis. We found that critical temperature and density increase with the decrease of wall-fluid affinity.     

Angular multiplexed holographic memory system based on moving window on liquid crystal display and its crosstalk analysis

We suggested a new non-mechanical angular multiplexed holographic memory system using a moving window, which was fabricated by controlling the pixels of a liquid crystal display (LCD) electronically. If we use light passed through the window left and right, and up and down, each window makes a reference wave with a different incidence angle and we can store angular-multiplexed holograms. The feasibility of the proposed method was demonstrated through optical experiments and its crosstalk noise analysis was also presented.