Prediction and validation of diffusive uptake rates for indoor volatile organic compounds in axial passive samplers

The diffusive uptake rate is essential for using passive samplers to measure indoor volatile organic compounds(VOCs).The traditional theoretical model of passive samplers requires available regression formulas of uptake rates and physicochemical properties of adsorbents to predict the uptake rate.However,it is difficult to obtain the uptake rates of different VOCs under different sampling periods,and it is also difficult to obtain the physical parameters of adsorbents accurately and effectively.This study provides a reliable numerical prediction method of diffusive uptake rates of VOCs.The modeling was based on the standard automated thermal desorption(ATD)tubes packed with Tenax TA and the mass transfer process during adsorption.The experimental determinations of toluene uptake rate are carried out to verify the prediction model.Diffusive uptake rates of typical indoor VOCs are obtained from the literature to calibrate the key apparent parameters in the model by statistical regression fitting.The predicted model can provide the VOC diffusive uptake rates under different sampling duration with an average deviation of less than 5%.This study can provide the basis for fast and accurate prediction of diffusive uptake rates for various VOC pollutants in built environments.

A Three-Dimensional Model of Transport and Diffusion of Seeding Agents within Stratus

It is essential to learn the temporal and spatial concentration distributions and variations of seeding agents in cloud seeding of precipitation enhancement. A three-dimensional puff trajectory model incorporating a mesoscale nonhydrostatic model has been formulated, and is applied to simulating the transporting and diffusive characteristics of multiple line sources of seeding agents within super-cooled stratus. Several important factors are taken into consideration that affect the diffusion of seeding materials such as effects of topography and vertical wind shear, temporal and spatial variation of seeding parameters and wet deposition. The particles of seeding agents are assumed to be almost inert, they have no interaction with the particles of the cloud or precipitation except that they are washed out by precipitation. The model validity is demonstrated by the analyses and comparisons of model results, and checked by the sensitivity experiments of diffusive coefficients and atmospheric stratification. The advantage of this model includes not only its exact reflection of heterogeneity and unsteadiness of background fields, but also its good simulation of transport and diffusion of multiple line sources. The horizontal diffusion rate and the horizontal transport distance have been proposed that they usually were difficult to obtain in other models. In this simulation the horizontal diffusion rate is 0.82 m s(-1) for average of one hour, and the horizontal average transport distance reaches 65 km after 1 4 which are closely related to the background Fields.

Diffusion of Acetic Acid Across Oil/Water Interface in Emulsification-Internal Gelation Process for Preparation of Alginate Gel Beads

Alginate has been widely used in cell microencapsulation and drug delivery systems in the form of gel beads or microcapsules.Although an alternative novel emulsification-internal gelation technology has been established and both the properties and the potential applications of the beads in drug delivery systems have been studied,the mechanism has not been well understood compared with the traditional droplet method（external gelation technology）.On the basis of our previous knowledge that the novel technology is composed of complicatedly consecutive processes with multistep diffusion and reaction,and the diffusion of acetic acid across oil/water interface being the prerequisite that determines the occurrence and rate for the reactions and the structures and properties of final produced gel beads,a special emphasis was placed on the diffusion process.With the aid of diffusion modeling and simple experimental design,the diffusion rate constant and diffusion coefficient of acetic acid across oil/water interface were determined to be in the orders of magnitude of 10-6 and 10-16,respectively.This knowledge will be of particular importance in understanding and interpreting the formation,structure of the gel beads and the relationship between the structure and properties and guiding the preparation and quality control of the gel beads.

The Accumulation of He on a W Surface During keV-He Irradiation:Cluster Dynamics Modeling

The accumulation of He on a W surface during keV-He ion irradiation has been simulated using cluster dynamics modeling. This is based mainly on rate theory and improved by involving different types of objects, adopting up-to-date parameters and complex reaction processes, as well as considering the diffusion process along with depth. These new features make the simulated results compare very well with the experimental ones. The accumulation and diffusion processes are analyzed, and the depth and size dependence of the He concentrations contributed by different types of He clusters is also discussed. The exploration of the trapping and diffusion effects of the He atoms is helpful in understanding the evolution of the damages in the near-surface of plasma-facing materials under He ion irradiation.

Turbulent mixing in the upper ocean of the northwestern Weddell Sea, Antarctica

Turbulent mixing in the upper ocean（30-200 m） of the northwestern Weddell Sea is investigated based on profiles of temperature,salinity and microstructure data obtained during February 2014.Vertical thermohaline structures are distinct due to geographic features and sea ice distribution,resulting in that turbulent dissipation rates（ε） and turbulent diffusivity（K） are vertically and spatially non-uniform.On the shelf north of Antarctic Peninsula and Philip Ridge,with a relatively homogeneous vertical structure of temperature and salinity through the entire water column in the upper 200 m,both ε and K show significantly enhanced values in the order of O（10^（-7））-O（10^（-6）） W/kg and O（10^（-3））-O（10^（-2）） m^2/s respectively,about two or three orders of magnitude higher than those in the open ocean.Mixing intensities tend to be mild due to strong stratification in the Powell Basin and South Orkney Plateau,where s decreases with depth from O（10^（-8）） to O（10^（-9）） W/kg,while K changes vertically in an inverse direction relative to s from O（10^（-6）） to O（10^（-5）） m^2/s.In the marginal ice zone,K is vertically stable with the order of10^（-4） m^2/s although both intense dissipation and strong stratification occur at depth of 50-100 m below a cold freshened mixed layer.Though previous studies indentify wind work and tides as the primary energy sources for turbulent mixing in coastal regions,our results indicate weak relationship between K and wind stress or tidal kinetic energy.Instead,intensified mixing occurs with large bottom roughness,demonstrating that only when internal waves generated by wind and tide impinge on steep topography can the energy dissipate to support mixing.In addition,geostrophic current flowing out of the Weddell Sea through the gap west of Philip Passage is another energy source contributing to the local intense mixing.

Kinetic Factors for Intensive Reaction of Magnesium-Based Spheroidiser in Hot Metal

The spheroidiser is a necessary additive to manufacture ductile iron.Sometimes with the same hot metal,spheroidisers and treated technology,reactions differ greatly from each other.The reaction may be quite normal in one case,but very intensive for another one.The effects of kinetic factors such as size,surface area and morphology o f spheroidiser on the reaction of spheoidization are studied.

Effect of molecular weight on the quality of poly(alpha-methylstyrene) mandrel

Hollow poly(alpha-methylstyrene)(PAMS)shows application in inertial confinement fusion experiments as the degradable mandrels of glow plasma polymer shells.However,the molecular weight of PAMS has great influence on the quality of mandrels.In this work,this influence was systematically studied using several PAMS samples with different molecular weights.For PAMS shells with 900 mm inner diameter and different wall thickness,when the molecular weight of PAMS is in the range of 300e500 kg·mol^(-1),perfect sphericity and good wall thickness uniformity can be obtained.In contrast,when increasing molecular weight to 800 kg·mol^(-1),the sphericity and the wall thickness uniformity become worse.Moreover,compared with the wall uniformity,the sphericity of PAMS shells was much less sensitive to the molecular weight.The results also showed that the stability of W1/O compound droplets of PAMS shells were less affected by the molecular weight.It was revealed that the wall uniformity and the sphericity of the PAMS shells were associated with the diffusion rates of fluorobenzene(FB).

INFLUENCE OF GEOMETRICAL CONFIGURATION OFSUPERCONDUCTING MATERIAL ON GROWTH OF Nb_3 Sn

Boundary conditions constructed by two typical geometrical configurations related to the manufacturing methods of bronze process and tin-rich Nb tube method have been considered in a diffusion model in which the diffusion of Sn in CuSn matrix plays a major role is as- sumed.The dependence of thickness of Nb_3Sn layer on reaction time has been derived.It is shown that the growth rate of Nb_3Sn relates to the configuration of the superconductor,the geometrical parameters of Nb filaments and CuSn matrix.The theory is qualitatively con- sistent with the experimental results.

An Optimized Parameter of Hydrogel for a Seven-Day Release of a Drug

Drug release is a crucial process in treatment. Conventional drug administration requires patient’s compliance and has the risk of overdosing. In order to control drug release, several potential materials are develo0ped. In this paper, we focus on hydrogel material and simulate drug release process in MATLAB. We optimize the parameter for a seven-day release of a drug. The results show that the diffusion coefficient at approximately 4.00E−11 could ensure medicine to diffuse around 7 days and maintain its effects.

Ergodicity of Reversible Reaction Diffusion Processes with General Reaction Rates

In this paper,a class of reaction diffusion processes with general reaction rates is studied.A necessary and sufficient condition for the reversibility of this calss of reaction diffusion processes is given,and then the ergodicity of these processes is proved.

THE DIFFUSION PARAMETER AND HEAT-RELEASE RATE OF PLUMES CAUSED BY THE 1987 FOREST FIRE IN NORTHEAST CHINA

In this paper the meteorological background for the formation of plume from the forest fire in Northeast China on 7—8 May 1987 is stated.The long-range instantaneous diffusion parameters are calculated by using the satellite photograph of the plumes with visible length ranging from 100 to over 500 kin.The results of cal- culation show that the relations between instantaneous diffusion parameter and travel time(up to 60000 sec.) obey the law of linear or 3/2 power.In addition,heat release from the fire on May 7—8 estimated by puff rising formula can meet,in respect to the order of magnitude,the value gained on the field survey.

Nucleation and growth of L1_(2)-Al_(3)RE particles in aluminum alloys:A first-principles study

The internal mechanisms of nucleation and growth of L1_(2)-AI_(3)RE(RE=Sc,Y,La-Lu) second phases in Al alloys were investigated by combining first-principles calculations with quasi-harmonic approximation(QHA).The calculated results show that the diffusion rate D_s and chemical potential AG_V increase with the increase of temperature.With the increase of atomic number,the D_s and the strain energy ΔE_(CS)increase firstly from Sc to La,and then decreases,while the calculated interface energy γ_(α/β) and ΔG_V show opposite tendency.Based on above calculated results,the critical nucleation radius R*and coarsening rate K_(LSW) are obtained from the classical nucleation theory(CNT) and LSW model of the Ostwald ripening of particles,respectively.With the increase of atomic number,the R*increases firstly,and then decreases for all planes at finite temperatures.Whereas the K_(LSW) shows opposite variation to the R^(*).From this point of view,it is reasonably speculated that Y and later RE elements can replace the expensive Sc for heat-resistance Al alloys.The solubility c_(∞) of particles is usually very small at low temperature,and there is obvious solubility only when the temperature reaches 600 K.The surface energies E_(sur) of AI_(3)RE compounds and Al solid solution are respectively larger and smaller than that of pure Al,respectively,except for the surface(001) and(110) of Al_(3)La.For all planes,with the increase of atomic number of RE,E_(sur) decreases firstly from Sc to La,and then increases linearly to Lu.These results are helpful for designing high performance heat-resistance Al alloys.

Soil Aeration Variability as Affected by Reoxidation

The interplay between soil physical parameters during the recovery from anoxic stresses （reoxidation） is largely unrecognized. This study was conducted to chaxacterise the soil aeration status and derive correlations between variable aeration factors during reoxidation. Surface layers （0-30 cm） of three soil types, Haplic Phaeozem, Mollic Gleysol, and Eutric Cambisol （FAO soil group）, were selected for analysis. The moisture content was determined for a range of pF values （0, 1.5, 2.2, 2.7, and 3.2）, corresponding to the available water for microorganisms and plant roots. The variability of a number of soil aeration parameters, such as water potential （pF）, air-filled porosity （Eg）, oxygen diffusion rate （ODR）, and redox potential （Eh）, were investigated. These parameters were found to be interrelated in most cases. There were significant （P 〈 0.001） negative correlations of pF, Eg, and ODR with Eh. A decrease in water content as a consequence of soil reoxidation was manifested by an increase in the values of aeration factors in the soil environment. These results contributed to understanding of soil redox processes during recovery from flooding and might be useful for development of agricultural techniques aiming at soil reoxidation and soil fertility optimisation.

Microstructural stability and aging behavior of refractory high entropy alloys at intermediate temperatures

Several body-centered-cubic(BCC)refractory high entropy alloys(HEAs),i.e.,Hf Nb Ta Ti Zr,Nb Ta Ti Zr,Hf Nb Ti Zr and Nb Ti Zr,were annealed at intermediate temperatures for 100 h,and their microstructures and aging behaviors were studied in detail.All these HEAs start to decompose into multiple phases at around 500°C,but reenter the single-phase region at significantly different temperatures which were determined to be 900,1000,1100 and above 1300°C for Hf Nb Ti Zr,Nb Ti Zr,Hf Nb Ta Ti Zr and Nb Ta Ti Zr,respectively.Our analysis indicates that the onset decomposition temperature in these four HEAs is closely related to the elemental diffusion rates while the ending decomposition temperature is strongly dependent on the elemental melting points.Our findings are important not only for understanding phase stability of HEAs in general,but also for adjusting processing parameters to optimize mechanical properties of these HEAs.

Li_(4)Ti_(5)O_(12)spinel anode:Fundamentals and advances in rechargeable batteries

The Li_(4)Ti_(5)O_(12)(LTO)spinel material,ranking at the second large market share after graphite,is a promising anode material for lithium-ion batteries due to its good cycle stability,rate capability,and safety with both conventional and low-temperature electrolytes.However,several critical challenges,such as the low capacity and gassing issue,hindered the wide applications of LTO anode.Recent progress indicated that the LTO performances are possible to be further improved by novel strategies,such as heterogeneous phase control,surface engineering,or overlithiation.To rethink and develop advanced LTO anodes,this review intensively associates the performances and modification strategies with the electronics/crystal structures.From a thermodynamic/kinetic point of view,we summarized the data obtained from recently developed characterization techniques,and the results of electrochemical performances and fundamental structures of LTO to potentially address several key challenges and issues toward advanced LTO anodes.As a result,light is shed on the future research direction of the LTO anodes.