Empirical correlation study of dryout heat transfer at high pressure using high order neural network and feed forward neural network

A hybrid high order neural network (HHONN) and a feed forward neural network (FNN) are developed and applied to find an optimized empirical correlation for prediction of dryout (DO) heat transfer. The values predicted by the HHONN and FNN models are compared with each other and also with the previous values of empirical correlation. HONN successfully provides an efficient open-box model of nonlinear input–output mapping which provides easier understanding of data mining. By removing the hidden layers, HONN structures become simpler than FNNs and initialization of learning parameters (weights) will not be catastrophic. The RMS results show that the HHONN model has superior fitting specification for prediction of DO heat transfer problem compared to the other prediction methods.     

Silica-bonded S-sulfonic acid: an efficient and recyclable solid acid catalyst for the synthesis of 4,4′-(arylmethylene)bis(1H-pyrazol-5-ols)

Silica-bonded S-sulfonic acid (SBSSA) is employed as a recyclable catalyst for the condensation reaction of aromatic aldehydes with 3-methyl-l-phenyl-5-pyrazolone. This condensation reaction was performed in ethanol under refluxing conditions giving 4,4′-alkylmethylene-bis(3-methyl-5-pyrazolones) in 75-90% yields.     

The glassy state of the amorphous V2O5–NiO–TeO2 samples

The glass transition temperature dependence to heating rate and therefore the activation energy (ΔH^?) of the glass transition of (60-x)V₂O₅–xNiO–40TeO₂ oxide glasses with 0≤x≤20 (in mol%) were investigated at heating rates φ (=3 6, 9, 10 and 12 K/min) using differential scanning calorimetry (DSC). The heating rate dependence of T_g was used to investigate the applicability of different theoretical models describing the glass transition. Using the application of Moynihan and Kissinger et al. models to the present data, different values of (ΔH^?) at each different heating-rate regions were obtained. The fragility parameter (m=ΔH^?/R T_g) was ∼24.98 for x=10 mol%, suggesting that this glass may be considered as a rather strong glass (fragility index m∼>20 is an indication of fragile glass). Also the compositional dependence of T_g and ΔH^? was investigated.     

DEER in biological multispin-systems: a case study on the fatty acid binding to human serum albumin

In this study, self-assembled systems of human serum albumin (HSA) and spin-labeled fatty acids are characterized by double electron-electron resonance (DEER). HSA, being the most important transport protein of the human blood, is capable to host up to seven paramagnetic fatty acid derivatives. DEER measurements of these self-assembled multispin clusters are strongly affected by correlations of more than two spins, the evaluation of the latter constituting the central topic of this paper. While the DEER modulation depth can be used to obtain qualitative information of the number of coupled spins, the quantitative analysis is hampered by the occurrence of cluster mixtures with different numbers of coupled spins and contributions from unbound spin-labeled material. Applying flip angle dependent DEER measurements, unwanted multispin correlations were found to lead not only to a broadening of the distance peaks but also to cause small distances to be overestimated and large distances to be suppressed. It is thus favorable to use spin-diluted systems with an average of two paramagnetic molecules per spin cluster when a quantitative analysis of the distance distribution is sought.     

Overhauser DNP and EPR in a Mobile Setup: Influence of Magnetic Field Inhomogeneity

Power-dependent Overhauser dynamic nuclear polarization (DNP) enhancements and continuous-wave electron paramagnetic resonance (EPR) spectra of nitroxide radicals were measured in the magnetic field of a mobile Halbach-array permanent magnet and compared with results from a commercially available electromagnet. DNP saturation factors for varying microwave power were obtained from both measurement series and used to investigate how the increased magnetic field inhomogeneity present in the Halbach magnet affects the saturation efficiency. An EPR detection system was designed to allow continuous-wave EPR measurements at microwave power up to 20?W. Our results show that despite the lower magnetic field homogeneity, a Halbach-array magnet can be used for EPR and DNP-enhanced nuclear magnetic resonance of high quality providing almost the same performance as a more homogeneous electromagnet.     

Viscometric Analysis of Miscibility and Interactions for Binary,Ternary Polycarbonate/Brominated Polystyrene + Chloroform Systems at Different Temperatures

Viscosities of ternary systems consist of polycarbonate (PC)/brominated polystyrene (PBrS) in chloroform and their corresponding binary systems were measured at different temperatures (20, 25, and 30°C). All the measurements were carried out at the concentration ranges of 0.1–0.6 g·dL^?1. The mass ratio of PC to PBrS was selected as 75:25, 50:50, and 25:75 in the ternary solutions. Two empirical expressions of Huggins and Kraemer equations with three-parameters were used for reproducing of the experimental viscosity data. The fitting parameters were obtained for the corresponding temperatures. The miscibility criteria on the basis of the sign of Δ[η]_m based on the difference between experimental and ideal values of [η]_m, was calculated by applying the Garcia et al., theoretical equation. The effect of temperature on the viscosity data was also studied. The results from this method were correlated with the miscibility data obtained for the same system by differential scanning calorimeter (DSC) findings.     

Reactivity of N-nitrosoamides in confined spaces

The thermal rearrangement of several N-nitrosoamides was studied by ¹H NMR in the context of reversible encapsulation. The N-nitrosoamide guests were isolated from the bulk solvent in a hydrogen-bonded dimeric host capsule which prevented their rearrangement. The guests appear to be preserved in their ground state conformations by the pressure exerted by the host. The conformations of the free and bound N-nitrosoamides are of comparable relative energies as determined by DFT calculations.     

Biosurfactant production under extreme environmental conditions by an efficient microbial consortium, ERCPPI-2

The biosurfactant production potential of a new microbial consortium of Enterobacter cloacae and Pseudomonas sp. (ERCPPI-2) which was isolated from heavy crude oil-contaminated soil in the south of Iran, has been investigated under extreme environmental conditions. The isolated consortium produces a biosurfactant mixture with excessive oil spreading and emulsification properties. This consortium was able to grow and produce biosurfactant at temperatures up to 70 °C, pressures up to 6000 psia, salinities up to 15% (w/v), and in the pH range 4-10. Besides, the optimum biosurfactant production conditions were found to be 40 °C and 7.0 for the temperature and pH value, respectively. These conditions gave the best biosurfactant production of 1.74 g/1 when the cells were grown on a minimal salt medium containing 1.0% (w/v) olive oil, 1.0% (w/v) sodium nitrate supplemented with 1.39% (w/v) K(2)HPO(4) at 40 °C and 150 rpm after 48 h of incubation. The ERCPPI-2 could reduce surface and interfacial tensions to 31.7 and 0.65 mN/m from the original values of 58.3 and 16.9 mN/m, respectively. The isolated consortium produced biosurfactant using heavy crude oil as the sole source of carbon and emulsified the available heavy crude oil up to E(24)=83.4%. The results of the core holder flooding tests at simulated reservoir conditions demonstrated that the oil recovery efficiency due to the injection of the cell-free biosurfactant solution was 27.2%, and the bacterium injection reduced the final residual oil saturations to below 3% at optimum conditions.     

Formation of a mesoscopic skin barrier in mesoglobules of thermoresponsive polymers

With the combination of molecular scale information from electron paramagnetic resonance (EPR) spectroscopy and meso-/macroscopic information from various other characterization techniques, the formation of mesoglobules of thermoresponsive dendronized polymers is explained. Apparent differences in the EPR spectra in dependence of the heating rate, the chemical nature of the dendritic substructure of the polymer, and the concentration are interpreted to be caused by the formation of a dense polymeric layer at the periphery of the mesoglobule. This skin barrier is formed in a narrow temperature range of ~4 K above T(C) and prohibits the release of molecules that are incorporated in the polymer aggregate. In large mesoglobules, formed at low heating rates and at high polymer concentrations, a considerable amount of water is entrapped that microphase-separates from the collapsed polymer chains at high temperatures. This results in the aggregates possessing an aqueous core and a corona consisting of collapsed polymer chains. A fast heating rate, a low polymer concentration, and hydrophobic subunits in the dendritic polymer side chains make the entrapment of water less favorable and lead to a higher degree of vitrification. This may bear consequences for the design and use of thermoresponsive polymeric systems in the fast growing field of drug delivery.