Influence of Substitutional Defects in ZIF-8 Membranes on Reverse Osmosis Desalination: A Molecular Dynamics Study

In this study, molecular dynamics simulation is used to investigate the effects of water-based substitutional defects in zeolitic imidazolate frameworks (ZIF)-8 membranes on their reverse osmosis (RO) desalination performance. ZIF-8 unit cells containing up to three defect sites are used to construct the membranes. These substitutional defects can either be Zn defects or linker defects. The RO desalination performance of the membranes is assessed in terms of the water flux and ion rejection rate. The effects of defects on the interactions between the ZIF-8 membranes and NaCl are investigated and explained with respect to the radial distribution function (RDF) and ion density distribution. The results show that ion adsorption on the membranes occurs at either the nitrogen atoms or the defect sites. Complete NaCl rejection can be achieved by introducing defects to change the size of the pores. It has also been discovered that the presence of linker defects increases membrane hydrophilicity. Overall, molecular dynamics simulations have been used in this study to show that water-based substitutional defects in a ZIF-8 structure reduce the water flux and influence its hydrophilicity and ion adsorption performance, which is useful in predicting the type and number of defect sites per unit cell required for RO applications. Of the seven ZIF-8 structures tested, pristine ZIF-8 exhibits the best RO desalination performance.     

Synthesis and spectroscopic properties of elongated ruthenium dihydrogen complexes: temperature and isotope dependence of H-H distances

Several dihydrogen complexes of ruthenium of the form [Cp/Cp*Ru(P-P)H(2)](+) (P-P = chelating diphosphine ligand) have been prepared by reaction of the corresponding neutral chloride complexes with H(2) in the presence of NaB(ArF)(4). Treatment with D(2) or T(2) gas leads to incorporation of deuterium or tritium in the dihydrogen ligand. Measurement of the resulting H-D and H-T couplings as a function of the temperature and magnetic field gives results consistent with computational studies which predict that the H-H bond distance will increase with temperature and will be significantly shortened by isotopic substitution. The degree of the observed temperature dependence is found to be a critical function of the ancillary ligand set.     

Localized single-photon wave functions in free space

We solve the joint open problems of photon localization and single-photon wave functions in the context of spontaneous emission from an excited atom in free space. Our wave functions are well-defined members of a discrete orthonormal function set. Both the degree and shape of the localization are controlled by entanglement mapping onto the atom wave function, even though the atom is remote from the photon.     

Semiconductor nanowires for subwavelength photonics integration

This article focuses on one-dimensional (1D) semiconductor subwavelength optical elements and assesses their potential use as active and passive components in photonic devices. An updated overview of their optical properties, including spontaneous emission, ultrafast carrier dynamics, cavity resonance feedback (lasing), photodetection, and waveguiding, is provided. The ability to physically manipulate these structures on surfaces to form simple networks and assemblies is the first step toward integrating chemically synthesized nanomaterials into photonic circuitry. These high index semiconductor nanowires are capable of efficiently guiding light through liquid media, suggesting a role for such materials in microfluidics-based biosensing applications.     

High-power optical parametric chirped-pulse amplifier system with a 1.55 microm signal and a 1.064 microm pump

We have designed and built a chirped-pulse parametric-amplifier system that utilizes a 10 Hz, 300 ps, Nd:YAG pump laser system; a 1.575 microm fiber oscillator and amplifier as the signal source; and rubidium titanyl phosphate and potassium titanyl arsenate nonlinear crystals. We obtained 260 fs, 30 mJ pulses centered at 1.550 microm, representing a gain of > 10(9) and a peak power of 100 GW. To our knowledge, these are the highest energy and peak power pulses ever produced in the 1.5-2.0 microm region     

Luminescent Tb3+ complex with pendant crown ether showing dual-component recognition of H+ and K+ at multiple pH windows

[structure: see text] A lanthanide luminescent probe that was functionalized with quinoline-alkylated diaza-18-crown-6 showed dual-component recognition of concentrations of H+ and K+ at four independent pH ranges, including in the physiological pH window. Moreover, it exhibited pH- and [K+]-independent long-lived lanthanide luminescent lifetimes in aqueous solution.     

Parabolic plasma sheath potentials and their implications for the charge on levitated dust particles

Analysis of several numerical plasma sheath models, as well as data from several previously reported experiments, is shown to indicate that the sheath potential function may often be very closely approximated with a parabola. We also demonstrate that once this potential function is suitably determined the charge on isolated dust particles levitated in the plasma sheath may be calculated directly from their equilibrium heights.     

On intrinsic oscillation in radiation-affected diffusion flames

A linear stability analysis is conducted to study the onset of near-limit flame oscillation with radiative heat loss in 1-D chambered planar flames using multi-scale activation-energy asymptotics. The oscillatory instability near the radiation-induced extinction limit at large Damköhler numbers is identified, in additional to the one near the kinetic limit at small Damköhler numbers. It is shown that radiative loss assumes a similar role as varying the thermal diffusivity of the reactants. Thus, flame oscillation near the radiative limit is still thermal-diffusive in nature although it may develop under unity Lewis numbers. The unstable range of Damköhler numbers near the radiative limit shows quite similar parametric dependence on the Lewis numbers of reactants, Le_F and Le_O, the stoichiometry, ?, and the radiative loss as that near the kinetic limit. They both increase monotonically with Le_O and ? and increase then decrease with Le_F. Increasing radiative loss extends the parameter range under which flame oscillations may develop. However, they show different dependence on the temperature difference between the supplying reactants. Unless radiative loss approaches its maximum value the system can sustain, flame oscillation near the radiative limit is only possible within a limited range of ΔT, whereas it is promoted monotonically with decreasing ΔT near the kinetic limit. Furthermore, while radiative loss shows small effect on the nondimensional oscillation frequency, the dimensional frequency of flame oscillations near the radiative limit can be substantially smaller than that near the kinetic limit.