A universal thermodynamic model of calculating mass action concentrations for structural units or ion couples in aqueous solutions and its applications in binary and ternary aqueous solutions

A universal thermodynamic model of calculating mass action concentrations for structural units or ion couples in ternary and binary strong electrolyte aqueous solution was developed based on the ion and molecule coexistence theory and verified in four kinds of binary aqueous solutions and two kinds of ternary aqueous solutions. The calculated mass action concentrations of structural units or ion couples in four binary aqueous solutions and two ternary solutions at 298.15 K have good agreement with the reported activity data from literatures after shifting the standard state and concentration unit. Therefore, the calculated mass action concentrations of structural units or ion couples from the developed universal thermodynamic model for ternary and binary aqueous solutions can be applied to predict reaction ability of components in ternary and binary strong electrolyte aqueous solutions. It is also proved that the assumptions applied in the developed thermodynamic model are correct and reasonable, i.e., strong electrolyte aqueous solution is composed of cations and anions as simple ions, H2O as simple molecule and other hydrous salt compounds as complex molecules. The calculated mass action concentrations of structural units or ion couples in ternary and binary strong electrolyte aqueous solutions strictly follow the mass action law.

CALCULATING MODEL OF MASS ACTION CONCENTRATIONS FOR Cd-Sb ALLOY MELT

According to the Cd-Sb alloy phase diagram, resistivity, heat capacity, partial molar entropy and viscosity,the structural units of this alloy melt have been determined as Cd and Sb atoms as well as Cd3Sb2, Cd4Sb3 and CdSb compounds.Based on these structural units and the coexistence theory of metallic melt structure involing compound formation,a calculating model of mass action concentrations has been deduced.The calculated mass action concentrations Ncd are in good agreement with measured activities acd. The Gibbs standard free energy of formatioin for above three compunds have been obtained too.

Mass Concentration and Mineralogical Characteristics of Aerosol Particles Collected at Dunhuang During ACE-Asia

Measurements were performed in spring 2001 and 2002 to determine the characteristics of soil dust in the Chinese desert region of Dunhuang, one of the ground sites of the Asia-Pacific Regional Aerosol Characterization Experiment （ACE-Asia）. The mean mass concentrations of total suspended particle matter during the spring of 2001 and 2002 were 317μg m^-3 and 307μg m^-3, respectively. Eleven dust storm events were observed with a mean aerosol concentration of 1095μg m^-3, while the non-dusty days with calm or weak wind speed had a background aerosol loading of 196μg m^-3 on average in the springtime. The main minerals detected in the aerosol samples by X-ray diffraction were illite, kaolinite, chlorite, quartz, feldspar, calcite and dolomite. Gypsum, halite and amphibole were also detected in a few samples. The mineralogical data also show that Asian dust is characterized by a kaolinite to chlorite （K/C） ratio lower than 1 whereas Saharan dust exhibits a K/C ratio larger than 2. Air mass back-trajectory analysis show that three families of pathways are associated with the aerosol particle transport to Dunhuang, but these have similar K/C ratios, which further demonstrates that the mineralogical characteristics of Asian dust are different from African dust.

Calculating models of mass action concentrations for NaBr(aq), LiNO_3(aq), HNO_3(aq), and KF(aq) binary solutions

The calculating models of mass action concentrations for electrolyte aqueous solutions NaBr-H2O, LiNO3-H2O, HNO3-H2O, and KF-H2O have been developed at 298.15 K and their molalities ranging from 0.1 mol/kg to saturation according to the ion and molecule coexistence theory as well as mass action law. The calculated mass action concentration is based on pure species as the standard state and the mole fraction as the concentration unit, and the reported activities are usually based on infinite dilution as the standard state and molality as the concentration unit. Hence, the calculated mass action concentration must be transformed to the same standard state and concentration unit. The transformation coefficients between calculated mass action concentrations and reported activities of the same component fluctuate in a very narrow range. Thus, the transformed mass action concentrations not only agree well with reported activities, but also strictly obey mass action law. The calculated results show that the new developed models can embody the intrinsic structure of investigated four electrolyte aqueous solutions. The results also indicate that mass action law has its widespread applicability to electrolyte binary aqueous solutions.

Calculating model of mass action concentrations for Ag-Au-Cu melts

Based on phase diagrams and measured activities, the calculatingmodel of mass action concentrations for het- erogeneous meltsAg-Au-Cu was formulated. Calculated results agree with the improvedresults of recent research work, Showing that the model formulatedcan reflect the structural characteristics of these melts. In thismodel, without the help Of any empirical parameters, only threeequilibrium constants are used, hence it is simple, lear, andfavorable to the sim- Plification of calculation.

Universal thermodynamic model of calculating the mass action concentrations of omponents in a ternary strong electrolyte aqueous solution and its application in the NaCl-KCl-H_2O system

A universal thermodynamic model of calculating the mass action concentrations of components in a ternary strong electrolyte aqueous solution has been developed based on the ion and molecule coexistence theory,and verified in the NaCl-KCl-H2O ternary system at 298.15 K. To compare the difference of the thermodynamic model in binary and ternary strong electrolyte aqueous solutions,the mass action concentrations of components in the NaCl-H2O binary strong electrolyte aqueous solution were also computed at 298.15K. A transformation coefficient was required to compare the calculated mass action concentration and reported activity because they were obtained at different standard states and concentration units. The results show that the transformation coefficients between calculated mass action concentrations and reported activities of the same components change in a very narrow range. The calculated mass action concentrations of components in the NaCl-H2O and NaCl-KCl-H2O systems are in good agreement with the reported activities. This indicates that the developed thermodynamic model can reflect the structural characteristics of solutions,and the mass action concentration also strictly follows the mass action law.

Seasonal Variations of Number Size Distributions and Mass Concentrations of Atmospheric Particles in Beijing

Particle number and mass concentrations were measured in Beijing during the winter and summer periods in 2003, together with some other parameters including black carbon (BC) and meteorological conditions. Particle mass concentrations exhibited low seasonality, and the ratio of PM2.5/PM10 in winter was higher than that in summer. Particle number size distribution (PSD) was characterized by four modes and exhibited low seasonality. BC was well correlated with the number and mass concentrations of accumulation and coarse particles, indicating these size particles are related to anthropogenic activities. Particle mass and number concentrations (except ultra-fine and nucleation particles) followed well the trends of BC concentration for the majority of the day, indicating that most particles were associated with primary emissions. The diurnal number distributions of accumulation and coarse mode particles were characterized by two peaks.

Vertical distribution characteristics of dust aerosol mass concentration in the Taklimakan Desert hinterland

The different height mass concentrations of dust aerosol data from the atmosphere environment observation station （Ta- zhong Station） was continuously observed by instruments of Grimm 1.108, Thermo RP 1400a and TSP from January of 2009 to February of 2010 in the Taklimakan Desert hinterland. Results show that： （1） The mass concentration value of 80 m PMl0 was higher, but PM2.5 and PM1.0 concentrations at 80 m was obviously lower than 4 m PMl0, and the value of 80 m PM1.0 mass concentration was the lowest. （2） The PM mass concentrations gradually decreased from night to sunrise, with the lowest concentration at 08：00, with the mass concentration gradually increased, up to the highest concentration around 18：00, and then decreased again. It was exactly the same with the changes of wind speed. （3） The high monthly average mass concentration of TSP mainly appeared from March to September, and the highest concentration was in April and May, subsequently gradually decreased. Also, March-September was a period with high value area of PM monthly average mass concentration, with the highest monthly average mass concentration of 846.0 p.g/m3 for 4 m PM^0 appeared in May. The concentration of PM10 was much higher than those of PM2.5 and PM1.0 at 80 m. There is a small difference between the concentration of PM2.5 and PM~ 0. Dust weather was the main factor which influenced the concentration content of the different diameter dust aerosol, and the more dust weather days, the higher content of coarse particle, conversely, fine particle was more. （4） The mass concentration of different diameter aerosols had the following sequence during dust weather： clear day 〈 blowing dust 〈 floating and blowing dust 〈 sandstorm. In different dust weather, the value of PM^o/TSP in fine weather was higher than that in floating weather, and much higher than those in blowing dust and sandstorm weather. （5） During the dust weather process, dust aerosol concentration gradually decreased with particle size decreasing. The dust aerosol mass concentration at different heights and diameter would have a peak value area every 3-4 days according to the strengthening process of dust weather.

Calculation Models of Mass Action Concentrations for Metallic Melts Involving Monotectic

Based on the phase diagrams, measured activities as well asDeltaG(m) and DeltaG(xs), calculating models of mass action concentrations for metallic melts involving monotectic have been formulated. The calculated results agree with practice on the whole, showing that the models deduced generally can reflect the structural characteristics of these melts. The metastable compounds formed in the melts are of the types A(2)B(3), AB(2), A(2)B(3) or AB and A(2)B(3)+AB etc..

Calculating Models of Mass Action Concentrations for Fe-P and Cr-P Melts and Optimization of Their Thermodynamic Parameters

Based on the phase diagrams, reliable reference experimental data and the coexistence theory of metallic melts structure involving compound formation, calculating models of mass action concentrations for Fe-P and Cr-P melts have been formulated. At the same time, some of their thermodynamic parameters have been optimized. The calculated results not only agree well with the measuredvalues, but also obey the mass action law rigorously, this in turn shows that these models can reflect the structural characteristics of corresponding melts.

Calculating Model of Mass Action Concentrations for Fe-Cr-P Melts and Optimization of Thermodynamic Parameters

According to the results of research on the thermodynamic propelles of Fe-Cr, Fe-P and Cr-P melts, the measured achvihes of Fe-Cr-P melts from reference sources as well as the coexistence theory of metallic melts structure involving compound formation, a calculating model of the mass action concentrations for Fe-Cr-P melts has been formulated and some of its thermodynamic parameters have been optimized. The calculated mass action concentrations agree with the measured achvities, which shows that this model can reflect the structural reality of Fe-Cr-P melts.

Analysis of mass concentration of atmospheric particulate matter in a sandstorm course and its affecting factors in the Taklimakan Desert

During the course of a major sandstorm from April 17 to April 23, 2008 in the Taklimakan Desert, data pertaining to the mass concentrations of different-sized atmospheric particulate matter were observed continuously with Grimm 1.108, Thermo RP 1400a, TSP, and CAWS-600 instruments. The results showed that： （1） during the entire sandstorm process there were some dif- ferences between the daily mean particle concentration peaks and the hourly mean particle concentration peaks because the actual sandstorm lasted for only about 4 hr, whereas more particles were accumulated in the floating dust days before and after the actual sandstorm; （2） the intensity of the sandstorm was enhanced with the increase of wind speed, and this was related to the peak mass concentrations of atmospheric particulate matter; the wind speed directly affected the concentration of atmospheric particulate matter： the higher the wind speed, the higher the mass concentration （〉0.23 μm was 39,496.5 μg/m^3, and 〉20.0 μm was 5,390.7μg/m^3）; （3） the concentration changes of PM10 and TSP were also related to the course and intensity of the sandstorm; and （4） the mass concentration of atmospheric particulate matter had the following sequence during the dust weather： clear day 〈 floating dust 〈 floating and blowing dust 〈 sandstorm. Temperature, relative humidity, and barometric pressure are important factors affecting the strength of storms, which could also indirectly affect the concentration change of atmospheric particulate matter.

Black Carbon Instead of Particle Mass Concentration as an Indicator for the Traffic Related Particles in the Brussels Capital Region

The Brussels Capital Region has difficulties in meeting the stringent EU daily limit value for PM10 in all its measuring sites. Postponing the attainment of the deadline was not granted by the EU Commission, mainly due to insufficient judged measures to reduce road traffic emissions. However, a thorough analysis of the data makes clear that neither the particle mass concentration (PM10 and PM2.5) nor the particle number concentration are specific metrics for evaluating the particle pollution originated by traffic. In fact, increased formation of secondary aerosol, together with adverse meteorological conditions and the (re) suspension of the coarser fraction are by far the three main explanations for the numerous PM10 exceeding values. From our experience, amongst the particles measured, only the results for Black Carbon (BC), mainly present in the lower submicron range, are reflective of the direct influence of local traffic. Measured at two traffic sites along with PM mass and number concentrations, the data for Black Carbon show a striking correlation with nitrogen monoxide, a parameter strongly related with the proximity of the local traffic. The correlation factor between Black Carbon data and NO or NOX is much higher than between Black Carbon and the PM mass or number concentration. Therefore the assessment of traffic related particles should consider Black Carbon rather than PM10 or PM2.5.

Variation Characteristics of Mass Concentration of Inhalable Particles in Qingdao, China

The geographical condition of Qingdao, China is relatively special;the transport of various inland pollutants, the emissions of marine aerosol and local pollutants will have an impact on the changes of atmospheric aerosol concentration. By using the stability classification method, trajectory clustering analysis and the NOAA HYSPLIT model, the seasonal distribution characteristics of atmospheric inhalable particulate matter concentration in Qingdao, China and its relationship with meteorological conditions, mixed layer height, and the seasonal characteristics of Qingdao pollutant transport were analyzed. The results show that the variation trends of PM2.5 and PM10 were about the same, and there are obvious seasonal differences, which are high in winter and spring, and low in summer and autumn. The concentration of inhalable particulate matter has a negative correlation with temperature, wind speed and relative humidity. The concentration of inhalable particulate matter is distinct in different relative humidity ranges. When the wind speed is less than 3 - 4 m/s, there are more inhalable particles, while the mass concentration shows obvious reduction with the wind speed more than 4 m/s. There is a significant negative correlation between the mass concentration of pollutants and the daily maximum mixed layer height. The larger the concentration of pollutants, the smaller the thickness of the daily largest mixed layer. Conversely, the smaller the mass concentration of pollutants, the larger the thickness of the daily largest mixed layer. The pollutant transport in Qingdao has obvious seasonal characteristics. The air mass in spring, autumn and winter is mainly medium-long distance transport from Mongolia and southern Russia, and medium-short distance transport from Inner Mongolia and northeast of China. The source of air masses in summer is mainly transported from the eastern and sea areas.

Calculating models of mass action concentrations for structural units or ion couples in RbCl-H_2O binary system and RbCl-RbNO_3-H_2O ternary system

Thermodynamic models of calculating mass action concentrations for structural units or ion couples in RbCl-H2O binary and RbCl-RbNO3-H2O ternary strong electrolyte aqueous solutions were developed based on the ion and molecule coexistence theory at 298.15 K.A transformation coefficient is needed to compare the calculated mass action concentration and the reported activity because they are obtained at different standard states and concentration units.The results show that the transformation coefficients between the calculated mass action concentrations and the reported activities of the same structural units or ion couples in RbCl-H2O binary and RbCl-RbNO3-H2O ternary strong electrolyte aqueous solutions change in a very narrow range.The transformed mass action concentrations of structural units or ion couples in RbCl-H2O binary system are in good agreement with the reported activities. The transformed mass action concentrations of RbCl and RbNO3 in RbCl-RbNO3-H2O ternary solution are also in good agreement with the reported activities,aRbCl and 3RbNOa,with different total ionic strengths as 0.01,0.05,0.1,0.5,1.0,1.5,2.0,3.0 and 3.5 mol/kg,respectively.All those results mean the developed thermodynamic model of strong electrolyte aqueous solutions can reflect structural characteristics of RbCl-H2O binary and RbCl-RbNO3-H2O ternary strong electrolyte aqueous solutions and the mass action concentration also strictly follows the mass action law.

Mass Concentration of Particles (PM10) in Urban Environment of Changsha,China

Continuous measurement of ambient PM10 was performed by TEOM at a university campus for about one year from 20 November 2007 to 29 October 2008 in Changsha city of Hunan province.Indoor PM10 and PM2.5 concentration were measured by DustTrak simultaneously in order to describe the difference in concentration level and daily variations of particle mass concentration between different seasons,and to survey the influence of ambient particle on indoor air quality.During the survey period,the annual average PM10 concentration was found to be 117.63 μg/m3,with a mean value 121.88 μg/m3 in winter and 111.50 μg/m3 in spring.The temporal trend changed quickly from time to time,and the peak values were found in rush hours and in the evening.Ambient PM10 showed a good correlation with indoor PM10 and outdoor PM2.5 but not with indoor PM2.5.These results showed that PM10 was influenced by local source(such as traffic or fuel burning)and regional source.The correlation analysis has shown that ambient PM10 contributes substantial fraction to indoor PM10 but not to indoor PM2.5,which indicates other source may exist in the indoor environment.

CALCULATING MODELS OF MASS ACTION CONCENTRATIONSFOR MATTES (Cu_2S-FeS-SnS)INVOLVING EUTECTIC

Based on the facts that cations and anions of molten salts and binary basic oxide solid solutions do not separate from each other as well as that the electric conductivities of mattes are greater than that of salts and basic oxide solid solutions, the calculating models of mass action concentrations for binary and ternary mattes involving eutectic have been formulated. The results of calculation agree well with the values measured;this in turn shows that the calculating models can reftect the structural characteristics of the mattes concerned.

Ground-Based In Situ Measurements of Near-Surface Aerosol Mass Concentration over Anantapur:Heterogeneity in Source Impacts

Surface measurements of aerosol physical properties were made at Anantapur （14.62°N, 77.65°E, 331 m a.s.l）, a semiarid rural site in India, during August 2008-July 2009. Measurements included the segregated sizes of aerosolsas as well as total mass concentration and size distributions of aerosols measured at low relative humidity （RH〈75%） using a Quartz Crystal Microbalance （QCM） in the 25-0.05 um aerodynamic diameter range. The hourly average total surface aerosol mass concentration in a day varied from 15 to 70 ug m-3, with a mean value of 34.02±9.05 ug m-3 for the entire study period. A clear diurnal pattern appeared in coarse, accumulation and nucleation-mode particle concentrations, with two local maxima occurring in early morning and late evening hours. The concentration of coarse-mode particles was high during the summer season, with a maximum concentration of 11.81±0.98 ug m-3 in the month of April, whereas accumulationmode concentration was observed to be high in the winter period contributed 〉68% to the total aerosol mass concentration. Accumulation aerosol mass fraction, Af （= Ma/Mt） was highest during winter （mean value of Af -0.80） and lowest （Af - 0.64） during the monsoon season. The regression analysis shows that both Reff and Rm are dependent on coarse-mode aerosols. The relationship between the simultaneous measurements of daily mean aerosol optical depth at 500 nm （AOD500） and PM2.5 mass concentration （[PM2.5]） shows that surface-level aerosol mass concentration increases with the increase in columnar aerosol optical depth over the observation period.

Calculating Models of Mass Action Concentrations for Ni-Mn and Co-Mn Melts and Optimization of Their Thermodynamic Parameters

According to phase diagrams, measured activities as well as the coexistence theory of motallic melts structure involving compound formation, the calculating models of mass action concentrations for Ni-Mn and Co-Mn melts are formulated and their thermodynamic parameters are optimized. As a result, the calculated mass action concentrations agree well with the corresponding measured activities, showing that these models can reflect the structural characteristics of both Ni-Mn and Co-Mn melts.

CALCULATING MODELS OF MASS ACTION CONCENTRATIONS OF BINARY METALLIC MELTS INVOLVING SOLID SOLUTIONS

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