Enhancing the separation performance of glassy PPO with the addition of a molecular sieve (ZIF-8): Gas transport at various temperatures

In this study, we prepared and characterized composite films formed by amorphous poly(2,6-dimethyl-1,4-phenylene oxide) (PPO) and particles of the size-selective Zeolitic Imidazolate Framework 8 (ZIF-8). The aim was to increase the permselectivity properties of pure PPO using readily available materials to enable the possibility to scale-up the technology developed in this work. The preparation protocol established allowed robust membranes with filler loadings as high as 45 wt% to be obtained. The thermal, morphological, and structural properties of the membranes were analyzed via DSC, SEM, TGA, and densitometry. The gas permeability and diffusivity of He, CO2, CH4, and N2 were measured at 35, 50, and 65 \ub0C. The inclusion of ZIF-8 led to a remarkable increase of the gas permeability for all gases, and to a significant decrease of the activation energy of diffusion and permeation. The permeability increased up to +800% at 45 wt% of filler, reaching values of 621 Barrer for He and 449 for CO2 at 35 \ub0C. The ideal size selectivity of the PPO membrane also increased, albeit to a lower extent, and the maximum was reached at a filler loading of 35 wt% (1.5 for He/CO2, 18 for CO2/N2, 17 for CO2/CH4, 27 for He/N2, and 24 for He/CH4). The density of the composite materials followed an additive behavior based on the pure values of PPO and ZIF-8, which indicates good adhesion between the two phases. The permeability and He/CO2 selectivity increased with temperature, which indicates that applications at higher temperatures than those inspected should be encouraged

Prospects for precision measurements of atomic helium using direct frequency comb spectroscopy

We analyze several possibilities for precisely measuring electronic transitions in atomic helium by the direct use of phase-stabilized femtosecond frequency combs. Because the comb is self-calibrating and can be shifted into the ultraviolet spectral region via harmonic generation, it offers the prospect of greatly improved accuracy for UV and far-UV transitions. To take advantage of this accuracy an ultracold helium sample is needed. For measurements of the triplet spectrum a magneto-optical trap (MOT) can be used to cool and trap metastable 2^3S state atoms. We analyze schemes for measuring the two-photon $2^3S \to 4^3S$ interval, and for resonant two-photon excitation to high Rydberg states, $2^3S \to 3^3P \to n^3S,D$. We also analyze experiments on the singlet-state spectrum. To accomplish this we propose schemes for producing and trapping ultracold helium in the 1^1S or 2^1S state via intercombination transitions. A particularly intriguing scenario is the possibility of measuring the $1^1S \to 2^1S$ transition with extremely high accuracy by use of two-photon excitation in a magic wavelength trap that operates identically for both states. We predict a ``triple magic wavelength'' at 412 nm that could facilitate numerous experiments on trapped helium atoms, because here the polarizabilities of the 1^1S, 2^1S and 2^3S states are all similar, small, and positive.Comment: Shortened slightly and reformatted for Eur. Phys. J.

Inelastic collisions of CaH with He at cryogenic temperatures

Using helium buffer gas cooling, we have prepared dense samples of ground-state molecular calcium monohydride (CaH X 2Σ) at cryogenic temperatures. We have used optical pumping to polarise the spin state of the CaH molecules and we have measured the inelastic collisions of molecular CaH with atomic helium at temperatures from 2 to 7 K. The measured CaH electronic spin depolarisation rate coefficient increases rapidly with increasing temperature, increasing from 2 × 10−13 cm3 s−1 to over 10−11 cm3 s−1. The strong dependence of rate coefficient on temperature is attributed to the CaH population in the first excited rotational state

High precision calculation of multipolar dynamic polarizabilities and two- and three-body dispersion coefficients of atomic hydrogen

In this paper we investigate a variationally stable procedure for multipolar dynamic polarizabilities calculation as well as the two- and three-body van der Waals coefficients of the hydrogen atom. This approach provides precise, fast convergent values for real and imaginary frequency-dependent 2 (L) -pole dynamic polarizabilities. Highly accurate two- and three-body van der Waals dispersion coefficients are calculated from dynamic polarizabilities at imaginary photon frequencies. The present approach is also precise for higher interaction orders. The results are compared with previous calculations found in the literature.Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES

Binding energies of excitons trapped by ionized donors in semiconductors

Using the hyperspherical adiabatic approach in a coupled-channel calculation, we present precise binding energies of excitons trapped by impurity donors in semiconductors within the effective-mass approximation. Energies for such three-body systems are presented as a function of the relative electron-hole mass sigma in the range 1 less than or equal to1/sigma less than or equal to6, where the Born-Oppenheimer approach is not efficiently applicable. The hyperspherical approach leads to precise energies using the intuitive picture of potential curves and nonadiabatic couplings in an ab initio procedure. We also present an estimation for a critical value of sigma (sigma (crit)) for which no bound state can be found. Comparisons are given with results of prior work by other authors

Highly excited states for the helium atom in the hyperspherical adiabatic approach

The hyperspherical adiabatic approach is used to obtain the highly excited series 1sns 1S e and 1s(n + 1)p 1P o of the helium atom. The introduction of appropriate asymptotic conditions at large values of the hyperspherical radius results in a stable algorithm that allows the calculation of the full atomic spectrum with precision of a few parts per million. Comparison with the variational calculations available in the literature shows that the accuracy of the results improves with increasing principal quantum number. We present the energies up to n = 31 which is the typical value used in multiphoton excitation experiments

Nonadiabatic calculations of the oscillator strengths for the helium atom in the hyperspherical adiabatic approach

Energies and wavefunctions are calculated for the bound states of the helium atom in the hyperspherical adiabatic approach by the full inclusion of nonadiabatic couplings. We show that the use of appropriate asymptotic radial boundary conditions not only allows the efficient calculation of energies accurate up to a few ppm for the ground state but also gives increasingly precise results for high-lying excited states with a unique set of equations. The accuracy of the wavefunctions is demonstrated by the calculation of oscillator strengths in the length form for transitions between stares ii S-1(e) and (n + 1) P-1(0) up to n = 29, in agreement with variational calculations

Enhancing the separation performance of glassy PPO with the addition of a molecular sieve (ZIF-8): gas transport at various temperatures

In this study, we prepared and characterized composite films formed by amorphous poly(2,6-dimethyl-1,4-phenylene oxide) (PPO) and particles of the size-selective Zeolitic Imidazolate Framework 8 (ZIF-8). The aim was to increase the permselectivity properties of pure PPO using readily available materials to enable the possibility to scale-up the technology developed in this work. The preparation protocol established allowed robust membranes with filler loadings as high as 45 wt% to be obtained. The thermal, morphological, and structural properties of the membranes were analyzed via DSC, SEM, TGA, and densitometry. The gas permeability and diffusivity of He, CO[subscript 2], CH[subscript 4], and N[subscript 2] were measured at 35, 50, and 65°C. The inclusion of ZIF-8 led to a remarkable increase of the gas permeability for all gases, and to a significant decrease of the activation energy of diffusion and permeation. The permeability increased up to +800% at 45 wt% of filler, reaching values of 621 Barrer for He and 449 for CO[subscript 2] at 35°C. The ideal size selectivity of the PPO membrane also increased, albeit to a lower extent, and the maximum was reached at a filler loading of 35 wt% (1.5 for He/CO[subscript 2], 18 for CO[subscript 2]/N[subscript 2], 17 for CO[subscript 2]/CH[subscript 4], 27 for He/N[subscript 2], and 24 for He/CH[subscript 4].) The density of the composite materials followed an additive behavior based on the pure values of PPO and ZIF-8, which indicates good adhesion between the two phases. The permeability and He/CO[subscript 2] selectivity increased with temperature, which indicates that applications at higher temperatures than those inspected should be encouraged. ©2020 Keywords: gas separation; CO2 capture; mixed-matrix membrane