Ion-neutral reactions in the ion source of a mixture of CO2/CH3OH, CO2/C2H5OH, and CO2/2-C3H7OH by packed capillary supercritical fluid chromatography-mass spectrometry (SFC-MS)

Ion neutral reactions in the gas phase in mixtures of ROH/CO(2), R = CH(3), C(2)H(5), and 2-C(3)H(7) were studied by supercritical fluid chromatography-mass spectrometry (SFC-MS). Three main reaction series were found for this system; ionization followed by alpha-cleavage, formation of clusters, and formation of protonated dialkyl ethers from the corresponding alcohol. The ion chemistries were similar for the three alcohols, but that of 2-propanol was somewhat more complex.     

A Novel Relative Permeability Model Based on Mixture Theory Approach Accounting for Solid–Fluid and Fluid–Fluid Interactions

A novel model is presented for estimating steady-state co- and counter-current relative permeabilities analytically derived from macroscopic momentum equations originating from mixture theory accounting for fluid–fluid (momentum transfer) and solid–fluid interactions (friction). The full model is developed in two stages: first as a general model based on a two-fluid Stokes formulation and second with further specification of solid–fluid and fluid–fluid interaction terms referred to as \(R_{{i}}\) (i =  water, oil) and R, respectively, for developing analytical expressions for generalized relative permeability functions. The analytical expressions give a direct link between experimental observable quantities (end point and shape of the relative permeability curves) versus water saturation and model input variables (fluid viscosities, solid–fluid/fluid–fluid interactions strength and water and oil saturation exponents). The general two-phase model is obeying Onsager’s reciprocal law stating that the cross-mobility terms \(\lambda _\mathrm{wo}\) and \(\lambda _\mathrm{ow}\) are equal (requires the fluid–fluid interaction term R to be symmetrical with respect to momentum transfer). The fully developed model is further tested by comparing its predictions with experimental data for co- and counter-current relative permeabilities. Experimental data indicate that counter-current relative permeabilities are significantly lower than corresponding co-current curves which is captured well by the proposed model. Fluid–fluid interaction will impact the shape of the relative permeabilities. In particular, the model shows that an inflection point can occur on the relative permeability curve when the fluid–fluid interaction coefficient \(I>0\) which is not captured by standard Corey formulation. Further, the model predicts that fluid–fluid interaction can affect the relative permeability end points. The model is also accounting for the observed experimental behavior that the water-to-oil relative permeability ratio \(\hat{{k}}_{\mathrm{rw}} /\hat{{\mathrm{k}}}_{\mathrm{ro}} \) is decreasing for increasing oil-to-water viscosity ratio. Hence, the fully developed model looks like a promising tool for analyzing, understanding and interpretation of relative permeability data in terms of the physical processes involved through the solid–fluid interaction terms \(R_{{i}}\) and the fluid–fluid interaction term R.     

Numerical solutions of the Gardner equation by extended form of the cubic B-splines

The extended definition of the polynomial B-splines may give a chance to improve the results obtained by the classical cubic polynomial B-splines. The optimum value of the extension parameter can be determined by scanning some intervals containing zero. This study aims to solve some initial boundary value problems constructed for the Gardner equation by the extended cubic B-spline collocation method. The test problems are derived from some analytical studies to validate the efficiency and accuracy of the suggested method. The conservation laws are also determined to observe whether the test problems remain constant as expected from the theoretical aspect. The stability of the proposed method is investigated by the von Neumann analysis.     

Taylor collocation method for the numerical solution of the nonlinear Schrödinger equation using quintic B-spline basis

In this study, we construct a Taylor collocation method for the numerical solution of the nonlinear Schrödinger (NLS) equation. We use suitable initial and boundary conditions. Taylor series expansion is used for time discretization. The cubic B-spline collocation method is applied to spatial discretization. Test problems concerning the single soliton motion, interaction of two colliding solitons, and the formation and bound states of solitons of the NLS equation are studied to evaluate the method. The L ₂ and L _∞ error norms are calculated to improve the accuracy of the numerical results.     

Local Lead–Lag Relationships and Nonlinear Granger Causality: An Empirical Analysis

The Granger causality test is essential for detecting lead–lag relationships between time series. Traditionally, one uses a linear version of the test, essentially based on a linear time series regression, itself being based on autocorrelations and cross-correlations of the series. In the present paper, we employ a local Gaussian approach in an empirical investigation of lead–lag and causality relations. The study is carried out for monthly recorded financial indices for ten countries in Europe, North America, Asia and Australia. The local Gaussian approach makes it possible to examine lead–lag relations locally and separately in the tails and in the center of the return distributions of the series. It is shown that this results in a new and much more detailed picture of these relationships. Typically, the dependence is much stronger in the tails than in the center of the return distributions. It is shown that the ensuing nonlinear Granger causality tests may detect causality where traditional linear tests fail.     

The electron affinity of tellurium

The electron affinity of tellurium has been determined to 1.970 876(7) eV. The threshold for photodetachment of Te^-(² P _3/2) forming neutral Te in the ground state was investigated by measuring the total photodetachment cross section using a collinear laser-ion beam geometry. The electron affinity was obtained from a fit to the Wigner law in the threshold region.     

Structure of zone-cast HBC-C12H25 films

The structure of a thin zone-cast film of the hexa-n-dodecyl-substituted hexa-peri-benzocoronene (HBC) has been investigated using grazing incidence X-ray diffraction. A model with an orthorhombic unit cell containing two molecules accounts well for the observations. The molecules are arranged in a "herringbone" structure resembling the packing observed for unsubstituted HBC. The molecular disk planes are oriented perpendicularly to the substrate, rotated by approximately 39 degrees about the film normal. The relatively long side chains of dodecyl were found to be in an ordered interdigitated state. The aliphatic side chains and the aromatic HBC-cores segregate to form regular vertical domains spanning the film thickness. For in-plane rocking scans a discrete orientation distribution is observed with peaks at regular angle intervals. We interpret this as a grain boundary effect induced by alkyl chain stacking faults.     

Liquid crystalline mesophases of pluronics (L64, P65, and P123) and transition metal nitrate salts ([M(H2O)6](NO3)2)

The triblock poly(ethylene oxide)-poly(propylene oxide)-poly(ethylene oxide) copolymers, Pluronics (L64, P65, and P123), form liquid crystalline (LC) mesophases with transition metal nitrate salts (TMS), [M(H(2)O)(n)](NO(3))(2), in the presence and absence of free water in the media. In this assembly process, M-OH(2) plays an important role as observed in a TMS:C(n)EO(m) (C(n)EO(m) is oligo(ethylene oxide) nonionic surfactants) system. The structure of the LC mesophases and interactions of the metal ion-nitrate ion and metal ion-Pluronic were investigated using microscopy (POM), diffraction (XRD), and spectroscopy (FTIR and micro-Raman) techniques. The TMS:L64 system requires a shear force for mesophase ordering to be observed using X-ray diffraction. However, TMS:P65 and TMS:P123 form well structured LC mesophases. Depending on the salt/Pluronic mole ratio, hexagonal LC mesophases are observed in the TMS:P65 systems and cubic and tetragonal LC mesophases in the TMS:P123 systems. The LC mesophase in the water/salt/Pluronic system is sensitive to the concentration of free (H(2)O) and coordinated water (M-OH(2)) molecules and demonstrates structural changes. As the free water is evaporated from the H(2)O:TMS:Pluronic LC mesophase (ternary mixture), the nitrate ion remains free in the media. However, complete evaporation of the free water molecules enforces the coordination of the nitrate ion to the metal ion in all TMS:Pluronic systems.     

Study of the collision-induced radical cleavage of flavonoid glycosides using negative electrospray ionization tandem quadrupole mass spectrometry

Negative electrospray ionization tandem quadrupole mass spectrometry was used to study the collision-induced dissociation (CID) of the O-glycosidic bond from different commercially available flavonoid glycosides. Depending on the structure, flavonoid glycosides can undergo both a collision-induced homolytic and heterolytic cleavage of the O-glycosidic bond producing deprotonated radical aglycone ((Y(0) - H)(-*)) and aglycone (Y(0) (-)) product ions. The relative abundance of the radical aglycone to the aglycone fragment from flavonol-3-O-glycosides increased with increasing number of hydroxyl substituents in the B ring and in the order kaempferol - 相似文献