Peristaltic flow of electrically conducting nanofluid under the action of Joule and radiative heat within an asymmetric microchannel

The proposed mathematical model is based upon the peristaltic flow of an electrical conducting nanofluid within an asymmetric microchannel. The flow takes place under the action of dissipative heat energy due to the occurrence of the magnetic field that is basically known as Joule heating and radiative heat proposed as thermal radiation along with the additional heat source. Moreover, the impact of upper/lower wall zeta potential and the expression for the electric potential is presented using the Poisson Boltzmann equation and Debey length approximation. The well-known numerical practice is used for distorted governing equations with appropriate boundary conditions. Further, computation of the pressure gradient is obtained for the associated physical parameters. The graphical illustration shows the characteristics of the pertinent parameters on the flow problem and the tabular result represents the simulated values for the rate coefficients. In the significant examination, the study reveals that the mobility parameter due to the occurrence of the electric field vis-à-vis time parameter encourages the velocity distribution within the center of the channel furthermore significant retardation occurs near the wall region.

Sizing an open-channel woodchip bioreactor to treat nitrate from agricultural tile-drainage and achieve water quality targets

Woodchip bioreactors are capable of removing nitrate from agricultural runoff and subsurface tile drain water, alleviating human health hazards and harmful discharge to the environment. Water pumped from agricultural tile drain sumps to nearby ditches or channels could be cost effectively diverted through a woodchip bioreactor to remove nitrate prior to discharge into local waterways. Sizing the bioreactor to achieve targeted outlet concentrations within a minimum footprint is important to minimizing cost. Determining the necessary bioreactor size should involve a hydrological component as well as reaction type and rates. We measured inflow and outflow nitrate concentrations in a pumped open-channel woodchip bioreactor over a 13-month period and used a tanks-in-series approach to model hydrology and estimate parameter values for reaction kinetics. Both zero-order and first-order reaction kinetics incorporating the Arrhenius equation for temperature dependence were modeled. The zero-order model fit the data better. The rate coefficients (k = 17.5 g N m−3 day−1 and theta = 1.12 against Tref = 20 °C) can be used for estimating the size of a woodchip bioreactor to treat nitrate in agricultural runoff from farm blocks on California's central coast. We present an Excel model for our tanks-in-series hydrology to aid in estimating bioreactor size.

Assessing NO2-Hydrocarbon Interactions during Combustion of NO2/Alkane/Ar Mixtures in a Shock Tube Using CO Time Histories

Modern gas turbines use combustion chemistry during the design phase to optimize their efficiency and reduce emissions of regulated pollutants such as NOx. The detailed understanding of the interactions during NOx and natural gas during combustion is therefore necessary for this optimization step. To better assess such interactions, NO2 was used as a sole oxidant during the oxidation of CH4 and C2H6 (the main components of natural gas) in a shock tube. The evolution of the CO mole fraction was followed by laser-absorption spectroscopy from dilute mixtures at around 1.2 atm. The experimental CO profiles were compared to several modern detailed kinetics mechanisms from the literature: models tuned to characterize NOx-hydrocarbons interactions, base-chemistry models (C0–C4) that contain a NOx sub-mechanism, and a nitromethane model. The comparison between the models and the experimental profiles showed that most modern NOx-hydrocarbon detailed kinetics mechanisms are not very accurate, while the base chemistry models were lacking accuracy overall as well. The nitromethane model and one hydrocarbon/NOx model were in relatively good agreement with the data over the entire range of conditions investigated, although there is still room for improvement. The numerical analysis of the results showed that while the models considered predict the same reaction pathways from the fuels to CO, they can be very inconsistent in the selection of the reaction rate coefficients. This variation is especially true for ethane, for which a larger disagreement with the data was generally observed.

Excitations of the nS States of Atomic Hydrogen by Electron Impact, Excitation Rate Coefficients, and Phase Shifts: Comparison with Positron Impact Excitation

The excitation cross-sections of the nS states of atomic hydrogen, n = 2 to 6, by electron impact on the ground state of atomic hydrogen were calculated using the variational polarized-orbital method at various incident electron energies in the range 10 to 122 eV. Converged excitation cross-sections were obtained using sixteen partial waves (L = 0 to 15). Excitation cross-sections to 2S state, calculated earlier, were calculated at higher energies than before. Results obtained using the hybrid theory (variational polarized orbital method) are compared to those obtained using other approaches such as the Born–Oppenheimer, close-coupling, R-matrix, and complex-exterior scaling methods using only the spherical symmetric wave functions. Phase shifts and elastic cross-sections are given at various energies and angular momenta. Excitation rate coefficients were calculated at various electron temperatures, which are required for plasma diagnostics in solar and astrophysics to infer plasma parameters. Excitation cross-sections are compared with those obtained by positron impact excitation.

Transmission of dipolar substituent effects: ionization of a series 3-(7-substituted-1-naphthyl) propynoic acid (E)-3-(7-substituted-1-naphthyl) propenoic acids and their Esterification with Diazodiphenylmethane

Alkaline hydrolysis rates coefficients for the series of methyl 3-(7-substituted-1-naphthyl) propynoate was calculated in 70%v/v dimethylsulphoxide-water at various temperatures (25,30,40, and 50̊ C). The pKa values of 3-(7-substituted-1-naphthyl) propynoic acid and (E)- 3-(7-substituted-1-naphthyl) propenoic acid calculated in 80%w/w 2-methoxyethanol-water at room temperature (25.0̊ C). logk2 of esterification rate coefficients for 3-(7-substituted-1-naphthyl) propynioc acid and (E)-3(7-substituted-1-naphthyl) propenioc acid with DDM have been measured at 30.0̊ C. Reversed substituent dipolar effects were found in the ionization reaction. In the esterification reaction with DDM the result show similar but reduced substituted effects. Rate retardations was found in the alkaline hydrolysis. It could be result from steric effect or reversal of substituent dipolar effect with a combination of steric effect.

DFT Calculations for the HONO Elimination Process of CL-20 Conformers

The HONO elimination process is regarded to be an important initial decomposition process of energetic nitramines. Four CL-20 conformers based on the ε-CL-20 were obtained by the optimization at the m062x/cc-pvtz level in this study, and the Transition State (TS) and Intrinsic Reaction Coordinate (IRC) calculations were carried out at the same level. In addition, the rate coefficients and activation energy of the HONO elimination process were evaluated using conventional transition state theory (TST) and canonical variational transition state theory (CVT) with Eckart and small-curvature tunneling (SCT) methods to correct the transmission coefficients for the quantum tunneling effect. The calculation results have shown that the HONO elimination process concerning the nitro groups located on six numbered rings is the hardest to happen, and it seems that the longer distance between nitro groups and the adjacent hydrogen atom would result in the higher barrier energy; the HONO elimination process is most likely to happen for the axial positioning of nitro groups located on five numbered rings and most unlikely to happen for the ones located on six numbered rings; CL-20 II and CL-20 IV conformers are the most unstable one and most stable one concerning the reaction difficulty of the HONO elimination process.

Transient behavior of drift and ionization in atmospheric pressure nitrogen discharge

The fluid models are frequently used to describe a non-thermal plasma such as a streamer discharge. The required electron transport data and rate coefficients for the fluid model are parametrized using the local field approximation (LFA) in first order models and the local-mean-energy approximation (LMEA) in second order models. We performed Monte Carlo simulations in Nitrogen gas with step changes in the E/N (reduced electric field) to study the behavior of the transport properties in the transient phase. During the transient phase of the simulation, we extract the instantaneous electron mean energy, which is different from the steady state mean electron energy, and the corresponding transport parameters and rate coefficients. Our results indicate that the mean electron energy is not a suitable parameter for mobility/drift of electrons due to big difference in momentum relaxation and energy relaxation. However, the high energy threshold rates such as ionization show a strong correlation to mean electron energy. In second order models where the energy-balance equation is solved, we suggest that it would rather be appropriate to use the local electric field to find electron drift velocity in gases such as Nitrogen and the local mean electron energy to determine the ionization and excitation rates.

Electron swarm parameters and dielectric strength of C5F10O and its mixtures with CO2 and dry air

Perfluoroketone C5F10O is considered as a potential SF6 alternative. The GWP (Global warming potential) of C5F10O is extremely low and even close to that of air. We investigated the electrical insulation properties of the C5F10O by pulsed Townsend (PT) experiment. The rate coefficients of ionization, attachment, and effective ionization, as well as the electron drift velocity and the longitudinal electron diffusion coefficient in pure C5F10O were obtained. We conclude that the density-reduced critical electric field of pure C5F10O is (768±5)Td and ion kinetics are not exist or negligible in C5F10O. Furthermore, the swarm parameters of C5F10O /CO2 and C5F10O /Air mixtures with C5F10O percentage up to 30% were measured in a wide E/N-range. C5F10O has good synergism with both CO2 and dry air and air behaves better. The synergistic effect coefficients were also calculated. To have the same (E/N)crit as pure SF6, the mixing ratio of C5F10O should be 30% in the mixture with CO2 and 26% in the mixture with dry air. The obtained electron swarm parameters in this paper provide a supplement for the fundamental data set of these novel gases, and also lay the foundation for fluid model simulations of gas discharge.

Kinetic Study of the Atmospheric Oxidation of a Series of Epoxy Compounds by OH Radicals

The kinetics of the gas-phase reactions of hydroxyl radicals with cyclohexene oxide (CHO), 1,2-epoxyhexane (EHX), 1,2-epoxybutane (12EB), trans-2,3-epoxybutane (tEB) and cis-2,3-epoxybutane (cEB) have been investigated using the relative rate technique. The experiments have been performed at (298 ± 3) K and (760 ± 10) Torr total pressure of synthetic air using different reference compounds in a 1080 l Quartz Reactor (QUAREC) and a 480 l Duran glass chamber. The following room temperature rate coefficients (cm3 molecule−1 s−1) were obtained: k1 (OH+CHO) = (5.93 ± 1.78) × 10−12, k2 (OH+EHX) = (5.77 ± 1.29) × 10−12, k3 (OH+12EB) = (1.98 ± 0.39) × 10−12, k4 (OH+cEB) = (1.50 ± 0.26) × 10−12, k5 (OH+tEB) = (1.81 ± 0.42) × 10−12. With the exception of previous studies for 1,2-epoxybutane and cyclohexene oxide, this is to the best of our knowledge the first kinetic study of the reaction of these compounds with OH radicals. Atmospheric lifetimes, reactivity trends and atmospheric implications are discussed considering the epoxy compound rate coefficients obtained in the present study. In addition to a direct comparison with the literature data where possible, the results from the present study are compared with values estimated from the Structure Activity Relationship method.