Sensing the heavy water concentration in an H_(2)O-D_(2)O mixture by solid-solid phononic crystals

A new method based on phononic crystals is presented to detect the concentration of heavy water(D_(2)O)in an H_(2)O-D_(2)O mixture.Results have been obtained and analyzed in the concentration range of 0%-10%and 90%-100%D_(2)O.A proposed structure of tungsten scatterers in an aluminum host is studied.In order to detect the target material,a cavity region is considered as a sound wave resonator in which the target material with different concentrations of D_(2)O is embedded.By changing the concentration of D_(2)O in the H_(2)O-D_(2)O mixture,the resonance frequency undergoes a frequency shift.Each 1%change in D_(2)O concentration in the H_(2)O-D_(2)O mixture causes a frequency change of about 120 Hz.The finite element method is used as the numerical method to calculate and analyze the natural frequencies and transmission spectra of the proposed sensor.The performance evaluation index shows a high Q factor up to 1475758 and a high sensitivity up to 13075,which are acceptable values for sensing purposes.The other figures of merit related to the detection performance also indicate high-quality performance of the designed sensor.

Adsorption behavior of CO_(2)/H_(2)S mixtures in calcite slit nanopores for CO_(2) storage:An insight from molecular perspective

It is acknowledged that injecting CO_(2) into oil reservoirs and saline aquifers for storage is a practical and affordable method for CO_(2) sequestration.Most CO_(2) produced from industrial exhaust contains impurity gases such as H_(2)S that might impact CO_(2) sequestration due to competitive adsorption.This study makes a commendable effort to explore the adsorption behavior of CO_(2)/H_(2)S mixtures in calcite slit nanopores.Grand Canonical Monte Carlo(GCMC)simulation is employed to reveal the adsorption of CO_(2),H_(2)S as well as their binary mixtures in calcite nanopores.Results show that the increase in pressure and temperature can promote and inhibit the adsorption capacity of CO_(2) and H_(2)S in calcite nanopores,respectively.CO_(2)exhibits stronger adsorption on calcite surface than H_(2)S.Electrostatic energy plays the dominating role in the adsorption behavior.Electrostatic energy accounts for 97.11%of the CO_(2)-calcite interaction energy and 56.33%of the H_(2)S-calcite interaction energy at 10 MPa and 323.15 K.The presence of H_(2)S inhibits the CO_(2) adsorption in calcite nanopores due to competitive adsorption,and a higher mole fraction of H_(2)S leads to less CO_(2) adsorption.The quantity of CO_(2) adsorbed is lessened by approximately 33%when the mole fraction of H_(2)S reaches 0.25.CO_(2) molecules preferentially occupy the regions near the po re wall and H_(2)S molecules tend to reside at the center of nanopore even when the molar ratio of CO_(2) is low,indicating that CO_(2) has an adsorption priority on the calcite surface over H_(2)S.In addition,moisture can weaken the adsorption of both CO_(2) and H_(2)S,while CO_(2) is more affected.More interestingly,we find that pure CO_(2) is more suitable to be sequestrated in the shallower formations,i.e.,500-1500 m,whereas CO_(2)with H_(2)S impurity should be settled in the deeper reservoirs.

In situ Raman spectroscopic quantification of CH4–CO2 mixture: application to fluid inclusions hosted in quartz veins from the Longmaxi Formation shales in Sichuan Basin, southwestern China

We re-evaluate the Raman spectroscopic quantification of the molar ratio and pressure for CH4–CO2 mixtures.Firstly,the Raman quantification factors of CH4 and CO2 increase with rising pressure at room temperature,indicating that Raman quantification of CH4/CO2 molar ratio can be applied to those fluid inclusions(FIs)with high internal pressure(i.e.,>15 MPa).Secondly,the v1(CH4)peak position shifts to lower wavenumber with increasing pressure at constant temperature,confirming that the v1(CH4)peak position can be used to calculate the fluid pressure.However,this method should be carefully calibrated before applying to FI analyses because large discrepancies exist among the reported v1(CH4)-P curves,especially in the highpressure range.These calibrations are applied to CH4-rich FIs in quartz veins of the Silurian Longmaxi black shales in southern Sichuan Basin.The vapor phases of these FIs are mainly composed of CH4 and minor CO2,with CO2 molar fractions from4.4%to 7.4%.The pressure of single-phase gas FI ranges from 103.65 to 128.35 MPa at room temperature,which is higher than previously reported.Thermodynamic calculations supported the presence of extremely high-pressure CH4-saturated fluid(218.03–256.82 MPa at 200°C),which may be responsible for the expulsion of CH4 to adjacent reservoirs.

The effect of membrane pores wettability on CO_2 removal from CO_2/CH_4 gaseous mixture using NaOH, MEA and TEA liquid absorbents in hollow fiber membrane contactor

The present paper renders a modeling and a 2D numerical simulation for the removal of CO_2from CO_2/CH_4gaseous stream utilizing sodium hydroxide(NaOH),monoethanolamine(MEA)and triethanolamine(TEA)liquid absorbents inside the hollow fiber membrane contactor.Counter-current arrangement of absorbing agents and CO_2/CH_4gaseous mixture flows are implemented in the modeling and numerical simulation.Non-wetting and partial wetting modes of operation are considered where in the partial wetting mode,CO_2/CH_4gaseous mixture and liquid absorbents fill the membrane pores.The deteriorated removal of CO_2in the partial wetting mode of operation is mainly due to the mass transfer resistance imposed by the liquid in the pores of membrane.The validation of numerical simulation is done based on the comparison of simulation results of CO_2removal using Na OH and experimental data under non-wetting mode of operation.The comparison illustrates a desirable agreement with an average deviation of less than 5%.According to the results,MEA provides higher efficiency for CO_2removal in comparison with the other liquid absorbents.The order for CO_2removal performance is MEAN Na OHN TEA.The influence of non-wetting and partial wetting modes of operation on CO_2removal are evaluated in this article as one of the novelties.Besides,the percentage of CO_2sequestration as a function of gas velocity for various percentages of membrane pores wetting ranging from 0(non-wetting mode of operation)to 100%(complete wetting mode of operation)is studied in this research paper,which can be proposed as the other novelty.The results indicate that increase in some operational parameters such as module length,membrane porosity and absorbents concentration encourage the removal percentage of CO_2from CO_2/CH_4gaseous mixture while increasing in membrane tortuosity,gas velocity and initial CO_2concentration has unfavorable influence on the separation efficiency of CO_2.

Investigation of the performance of CF3I/c-C4F8/N2 and CF3I/c-C4F8/CO2 gas mixtures from electron transport parameters

CF3I gas mixtures have attracted considerable attention as potential environmentally-friendly alternatives to SF6 gas,owing to their excellent insulating performance.This paper attempts to study the CF3I ternary gas mixtures with c-C4F8 and buffer gases N2 and CO2 by considering dielectric strength from electron transport parameters based on the Boltzmann method and synergistic effect analysis,compared with SF6 gas mixtures.The results confirm that the critical electric field strength of CF3I/c-C4F8/70%CO2 is greater than that of 30%SF6/70%CO2 when the CF3I content is greater than 17%.Moreover,a higher content of c-C4F8 decreases the sensitivity of gas mixtures to an electric field,and this phenomenon is more obvious in CF3I/c-C4F8/CO2 gas mixtures.The synergistic effects for CF3I/c-C4F8/70%N2 were most obvious when the c-C4F8 content was approximately 20%,and for CF3I/c-C4F8/70%CO2 when the c-C4F8 content was approximately 10%.On the basis of this research,CF3I/c-C4F8/70%N2 shows better insulation performance when the c-C4F8 content is in the15%–20%range.For CF3I/c-C4F8/70%CO2,when the c-C4F8 content is in the 10%–15%range,the gas mixtures have excellent performance.Hence,these gas systems might be used as alternative gas mixtures to SF6 in high-voltage equipment.

Investigation of the hydrate formation process in fine sediments by a binary CO2/N2 gas mixture

To obtain the fundamental data of CO2/N2 gas mixture hydrate formation kinetics and CO2 separation and sequestration mechanisms,the gas hydrate formation process by a binary CO2/N2 gas mixture(50:50)in fine sediments(150–250μm)was investigated in a semibatch vessel at variable temperatures(273,275,and 277 K)and pressures(5.8–7.8 MPa).During the gas hydrate reaction process,the changes in the gaseous phase composition were determined by gas chromatography.The results indicate that the gas hydrate formation process of the binary CO2/N2 gas mixture in fine sediments can be reduced to two stages.Firstly,the dissolved gas containing a large amount of CO2 formed gas hydrates,and then gaseous N2 participated in the gas hydrate formation.In the second stage,all the dissolved gas was consumed.Thus,both gaseous CO2 and N2 diffused into sediment.The first stage in different experiments lasted for 5–15 h,and>60%of the gas was consumed in this period.The gas consumption rate was greater in the first stage than in the second stage.After the completion of gas hydrate formation,the CO2 content in the gas hydrate was more than that in the gas phase.This indicates that CO2 formed hydrate easily than N2 in the binary mixture.Higher operating pressures and lower temperatures increased the gas consumption rate of the binary gas mixture in gas hydrate formation.

Effect of confinement on the three-phase equilibrium of water-oil-CO_(2)mixtures in nanopores

Accurate characterization of fluid phase behavior is an important aspect of CO_(2) enhanced shale oil recovery.So far,however,there has been little discussion about the nanopore confinement effect,including adsorption and capillarity on the phase equilibrium of water-oil-CO_(2) mixtures.In this study,an improved three-phase flash algorithm is proposed for calculating the phase behavior of water-oil-gas mixture on the basis of an extended Young-Laplace equation and a newly developed fugacity calculation model.The fugacity model can consider the effect of water-oil-gas adsorption on phase equilibrium.A water-Bakken oil-CO_(2) mixture is utilized to verify the accuracy of the flash algorithm and investigate the confinement effect.Results show that the confinement effect promotes the transfer of all components in the vapor phase to other phases,while the transfer of water,CO_(2),and lighter hydrocarbons is more significant.This leads to a large decrease,a large increase,and a small increase in the mole fraction of the vapor,oleic,and aqueous phases,respectively.When the confinement effect is considered,the density difference of vaporoleic phases decreases,and the interfacial tension of vapor-oleic phases decreases;however,the density difference of vapor-aqueous phases increases,the interfacial tension of vapor-aqueous phases still decreases.

A Kinetic Study of Ozone and Nitric Oxides in Dielectric Barrier Discharges for O_2/NO_x Mixtures

A simple model is described to simulate kinetic processes in dielectric barrier dis-charges for O2/NOx mixtures. A threshold of ozone production found experimentally is confirmedby the calculations of this modeling, and the underiying chemical reaction mechanisms are dis-cussed. It is also found that the effects of diffusion processes in the period of the lifetime of Oatoms are not important to microdischarge channels with a large radius, i.e. larger than l50 μm.

Preparation and Characterization of Some Ferrites from CuO-ZnO-Fe_2O_3 Mixtures

The ferrites of Cuo-ZnO-Fe2o3 solid solution series near the molar ratio of ZnxCu1-x were prepared by direct heating of their coprecipitated hydroxides using NH4OH as precipitating agent where x=0.0, 0.2, 0.5, 0.8 and 1.0. Additional amounts of Cu and Zn sulphates were added to compensate the loss during the coprecipitation of the hydroxides. The ferritized samples were characterized by chemical analysis, XRD. DTA, TGA and SEM. XRD of both Zn0.2Cu0.8Fe2O4 and Zn0.5Cu0.5 Fe2O4 that indicates the formation of a heterogeneous ferrite material of ZnFe2O4 and CuFe2O4 mixed with variable amounts of α-Fe2O3. Zn and Cu ferrites were observed only in Zn0.8Cu0.2Fe2O4.From TGA-time relation, the activation energy of the different transformation phases were calculated. It is found that, the activation energy of ZnFe2O4 is slightly equal to 3/2 of that for CuFe2O4. Dielectric measurements show that the electrical behaviour depends on the ordering and disordering of the phases.

Protective behavior of an SO_2/CO_2 gas mixture for molten AZ91D alloy

The protective behavior for a molten AZ91D alloy in an open melting furnace was investigated under a protective gas mixture containing 3% SO2 and 97% CO2, and the protection mechanism was discussed. Experimental results show that the gas mixture provides effective protection for AZ91D melt in the temperature range from 680 ℃ to 730 ℃. The microstructure, chemical composition and phase composition of the surface film formed on the molten AZ91D alloy were analyzed using scanning electron microscopy （SEM） with energy dispersive spectrometer （EDS） and X-ray diffraction （XRD）. The SEM results demonstrate that the surface films with an average thickness between 0.5 pm and 2 pm are dense and coherent in the protected temperature range. The EDS results reveal that the surface film mainly contains elements S, C, O, AI and Mg. The XRD results show that the surface film consists of MgO, MgS and a small amount of C phase.

Transport properties of a binary mixture of CO_2-N_2 from the pair potential energy functions based on a semi-empirical inversion method

The potential energy snrface of a CO2-N2 mixture is determined by using an inversion method, together with a new collision integral correlation [J. Phys. Chem. R@ Data 19 1179 （1990）]. With the new invert potential, the transport properties of CO2-N2 mixture are presented in a temperature range front 273.15 K to 3273.15 K at low density by employing the Chapman-Enskog scheme and the Wang Chang-Uhlenbeck de Boer theory, consisting of a viscosity coefficient, a thermal conductivity coefficient, a binary diffusion coefficient, and a thermal diffusion factor. The accuracy of the predicted results is estimated to be 2% for viscosity, 5% for thermal conductivity, and 10% for binary diffusion coefficient.

Investigation on pulsed discharge mode in SF6-C2H6 mixtures

The non-chain chemical HF(DF)laser is one of the most powerful electrically-driven lasers operating in mid-infrared,in which SF6-C2H6 mixtures are often used as lasering media.Due to the electronegativity of SF6,the discharge in SF6-C2H6 presents a complicated discharge mode.To achieve reproducible pulsed laser output,pulsed discharge in SF6-C2H6 mixtures is investigated for discharge mode using plane electrodes assisted by array pre-ionization spark pins in cathode surface.Firstly,two modes can be distinguished.One mode is called the selfsustained volume discharge(SSVD),which is characterized by spatial uniformity in the discharge gap and pulse to pulse repeatability.On the contrary,another mode includes random arc passages in the discharge gap and therefore cannot conduct lasering.By varying discharge conditions(gap voltage,gas pressure,etc)two discharge modes are observed.Secondly,the holding scope of the SSVD mode is analyzed for the optimal mixture ratio of 20:1,and the boundary tend of the holding scope of SSVD indicates there exists maximum gas pressure and maximum charging voltage for SSVD.Finally,the peak current of SSVD relates positively to charging voltage,while negatively to gas pressure,from which it is drawn that synchronous electron avalanches initiated by the sliding array overlap spatially into SSVD and thus SSVD is essentially an α ionization avalanche.

Performance analysis of a zeotropic mixture(R290/CO_2) for trans-critical power cycle

Low critical temperature limits the application of CO_2 trans-critical power cycle.The binary mixture of R290/CO_2has higher critical temperature.Using mixture fluid may solve the problem that subcritical CO_2 is hardly condensed by conventional cooling water.In this article,theoretical analysis is executed to study the performance of the zeotropic mixture for trans-critical power cycle using low-grade liquid heat source with temperature of200℃.The results indicated that the problem that CO_2 can't be condensed in power cycle by conventional cooling water can be solved by mixing R290 to CO_2.Variation trend of outlet temperature of thermal oil in supercritical heater with heating pressure is determined by the composition of the mixture fluid.Gliding temperature causes the maximum outlet temperature of cooling water with the increase of mass fraction of R290.There are the maximum values for cycle thermal efficiency and net power output with the increase of supercritical heating pressure.

Optimal activated carbon for separation of CO_2 from(H_2 + CO_2) gas mixture

Seven types of activated carbon were used to investigate the effect of their structure on separation of CO2 from（H2 ＋ CO2） gas mixture by the adsorption method at ambient temperature and higher pressures. The results showed that the limiting factors for separation of CO2 from 53.6 mol% H2 ＋ 46.4 mol% CO2 mixture and from 85.1 mol% H2 ＋ 14.9 mol% CO2 mixture were different at 20 °C and about 2 MPa. The best separation result could be achieved when the pore diameter of the activated carbon ranged from 0.77 to 1.20 nm, and the median particle size was about2.07 lm for 53.6 mol% H2 ＋ 46.4 mol% CO2 mixture and 1.41 lm for 85.1 mol% H2 ＋ 14.9 mol% CO2 mixture. The effect of specific area and pore diameter of activated carbon on separation CO2 from 53.6 mol% H2 ＋ 46.4 mol% CO2 mixture was more significant than that from 85.1 mol% H2 ＋ 14.9 mol% CO2 mixture. CO2 in the gas phase can be decreased from 46.4 mol% to 2.3 mol%–4.3 mol% with a two-stage separation process.

Corrosion of Y, Fe and Fe-15Y in H_2-H_2S Mixture under 10^(-3)Pa S_2 at 600～800℃

The corrosion of an Fe-based alloy containing 15 wt pct Y in H2-H2S mixtures under 10-3 Pa S2 was studied at 600~800℃ in an attempt to find materials with improved sulphidation resistance with respect to pure Fe. The presence of Y has been shown to be beneflcial, but not sufficient to the level expected. In fact, the alloy is able to form at all tested temperatures an external FeS layer, beneath which a zone containing a mixture of the two sulphides is also present. Thus,Fe can still diffuse through this region to form the outer FeS layer with non-negligible rate. The corrosion rate of Fe is considerably reduced by the Y addition. but the alloy corrodes still much more rapidly than Y. The sulphidation kinetics is generally rather irregular for both the pure metals, while the corrosion rate of the alloy decreases with time and tends to become parabolic after an initial period of 12~17 h. The sulphidation behaviour of the alloys is discussed by taking into account the presence of an intermetallic compound Fe17Y2 and the limited solubility of Y in Fe

Breakdown Electric Field of Hot 30% CF_3I/CO_2 Mixtures at Temperature of 300–3500 K During Arc Extinction Process

We calculated the uniform dielectric breakdown field strength of residual 30% CF3I/CO2 gas mixtures during the arc extinction process over the temperature range 300-3500 K at 0.1 MPa. The limiting reduced field strengths are decided by a balance of electron generation and loss based on chemical reactions estimated by the electron energy distribution function （EEDF）, which employs the Boltzmann equation method with two-term expanding approximation in the steady-state Townsend （SST） condition. During the insulation recovery phase, the hot CF3I/CO2 gas mixtures have maximum dielectric strength at a temperature of about 1500 K. At room temperature 300 K, the electric strength after arc extinction （90.3 Td, 1 Td=10-21 V.m2） is only 38% of the original value before arc （234.9 Td）. The adverse insulation recovery ability of CF3I/CO2 gas mixtures in arc extinction hinders its application in electric circuit breakers and other switchgears as an arc quenching and insulating medium.

Distinguished discriminatory separation of CO2 from its methane-containing gas mixture via PEBAX mixed matrix membrane

Highly selective separation of CO_2 from its methane-containing binary gas mixture can be achieved by using Poly(ether-block-amide)(PEBAX)mixed matrix membranes(MMMs).According to FESEM and AFM analyses,silica-based nanoparticles were homogenously integrated within the polymer matrix,facilitating penetration of CO_2 through the membrane while acting as barrier for methane gas.The membrane containing 4.6 wt% fumed silica(FS)(PEBAX/4.6 wt%FS)exhibits astonishing selectivity results where binary gas mixture of CO_2/CH_4 was used as feed gas.As detected by gas chromatography,in the permeate side,data showed a significant increase of CO_2 permeance,while CH_4 transport through the mixed matrix membrane was not detectable.Moreover,PEBAX/4.6 wt%FS greatly exceeds the Robeson limit.According to data reported on CO_2/CH_4 gas pair separation in the literature,the results achieved in this work are beyond those data reported in the literature,particularly when PEBAX/4.6 wt%FS membrane was utilized.

The Effect of Pressure on the Dissociation of H_2/CH_4Gas Mixture during Diamond Films Growth via Chemical Vapor Deposition

Monte Carlo simulations are adopted to study the electron motion in the mixture of H2 and CH4 during diamond synthesis via Glow Plasma-assisted Chemical Vapor Deposition (GPCVD). The non-uniform electric field is used and the avalanche of electrons is taken into account in this simulation. The average energy distribution of electrons and the space distribution of effective species such as CH3, CH+3, CH+ and H at various gas pressures are given in this paper, and optimum experimental conditions are inferred from these results.

Excess Molar Volume and Apparent Molar Volume of Binary Mixtures of 2-Methyl-3-buten-2-ol with 1-Alcohol at 298.15K

Excess molar volumes (V^E_m) of binary mixtures of2-methyl-3-buten-3-ol [CH_3C(OH)(CH_3)CHCG_2] with four 1-alcohols:methanol, ethanol, 1-propanol and l-butanol at 298.15 K andatmospheric pressure are derived from density measurements with avibrating-tube densimeter. All the excess volumes are negative in thesystems over the entire composition range. The results are correlatedwith the Redlich-Kister equation. The effects of chain length ofl-alcohols on V^E_m are discussed. The apparent molar volumes of2-methyl-3-ol and l-alcohols are calculated respectively.

The Hugoniot equation of state of the fluid He+D_2 mixtures

The fluid variational theory and effective one-component model have been used to calculate the Hugoniot equation of state （EOS） of fluid He, D2, and He+D2 mixtures with different He:D2 compositions under high pressures and temperatures. An examination of the confidence of above computation is performed by comparing experiment and calculation, in which the similar calculation procedure used for He+D2 is adopted, of He and D2 each, since no experimental data are available to conduct this kind of comparison. Good agreement in both comparisons is found. This fact may be looked as if an indirect positive verification of calculation procedure used here at least in the pressure and temperature domain covered by the experimental data of He and D2 used for comparison, numerically nearly up to 35 GPa and 105K.