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.

A thermodynamic model of calculating mass action concentrations for structural units or ion couples in NaClO_4-H_2O and NaF-H_2O binary solutions and NaClO_4-NaF-H_2O ternary solution

A thermodynamic model of calculating mass action concentrations for structural units or ion couples in NaClO4-H2O and NaF-H2O binary solutions and NaClO4-NaF-H2O ternary strong electrolyte aqueous solutions was developed based on the ion and molecule coexistence theory （IMCT）. A transformation coefficient was needed to compare the calculated mass action concentration and the reported activity, because they were usually obtained at different standard states and concentration units. The results show that transformation coefficients between the calculated mass action concentrations and the reported activities of the same components change in a very narrow range. The transformed mass action concentrations of structural units or ion couples in NaClO4-H2O and NaF-H2O binary solutions agree well with the reported activities. The transformed mass action concentrations of structural units or ion couples in NaClO4-NaF-H2O ternary solution are also in good agreement with the reported activities in a total ionic strength range from 0.1 to 0.9 mol/kg H2O by the 0.1 mol/kg step with different ionic strength fractions of 0, 0.2, 0.4, 0.5, 0.6, 0.8, and 1, respectively. The results indicate that the developed thermodynamic model can reveal the structural characteristics of binary and ternary strong electrolyte aqueous solutions, and the calculated mass action concentrations of structural units or ion couples also strictly follow the mass action law.

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.

Independent and Combined Effect of Some Soil Tillage Systems on Nitrogen and Carbon Concentration in Soil Structural Units of Haplic Chernozems

This paper aimed at studying the effect of different types of soil tillage systems on the change of total carbon （C） and nitrogen （N） in the soil structural units of different size after dry structural analysis of soil. The research was carried out in a 6-field rotation system （grain maize-wheat-sunflower-wheat-bean-wheat） at the end of the 2nd rotation. Six out of 24 soil tillage systems were selected; they were applied independently and in combination in the crop rotation. After that, they were compared to the system with constant deep plowing. So a total of seven soil tillage systems were investigated. The selected systems for main soil tillage were the following： plowing （control variant）, disking, cutting, nil tillage （direct sowing）, plowing-disking, plowing-nil tillage, disking-nil tillage. Three depths of 0-10, 10-20 and 20-30 cm were studied, as well as soil structural units were of the following sizes： 〉 10 mm, 10-5, 5-3, 3-1, 1-0.25 mm and 〈 0.25 mm. As a result of systematic implementation of different soil tillage systems, higher N and C concentrations were established by the layers according to constant plowing. Constant disking and its alternation with nil tillage increased the total N concentration with 15.6% and 11.1%, respectively, in comparison with the constant plowing. The same was valid for C concentration in soil, but the highest increase was established in the variants with constant cutting and nil tillage. The exceeding was with 14.0% and 13.2%, in comparison to constant plowing. The redistribution of N and C depending on the structural soil units was most expressed in the 0-10 cm and 10-20 cm layers. The highest amounts of C and N were found in the soil units with size less than 5 mm, mainly in the 〈 0.25 mm fraction. At depth of 20-30 cm, the role of the size of soil structural units for C and N redistribution decreased strongly. The values of C/N ratio were moderate only under the use of constant disking. This index was low under all other soil tillage systems. The correlation of total N with C in soil was high, positive and significant depending on the size of structural soil units and the tillage systems, as average for the investigated factors in this experiment. The minimal tillage and the tillage without turning of soil, used independently and in combination, had the highest contribution to preserving the organic matter in the haplic Chernozems of Dobrudzha region.

STRUCTURAL RESPONSE OF SOYBEAN LEAF TO ELEVATED CO_2 CONCENTRATION

The effects of CO 2 concentration on the morphological and anatomical characters of soybean (Glycine max) leaf were investigated by means of light microscopy and SEM.It was noticed that exomorphology did not show dramatic change,while stomatal density decreased with increasing CO 2 concentration.Under SEM,no epicuticular wax was observed on both abaxial and adaxial sides of the control group as well as on adaxial side of the treatment group.However,leaf surface of abaxial side was noticed to be densely covered with microasterisk epicuticular wax when they were exposed to CO 2 enriched environment.The epicuticular wax deposition was present in equal abundance on both stomatal and nonstomatal areas.Furthermore,leaf thickness increased significantly due largely to the origin of an extra layer of palisade in the treatment group.The results confirmed that CO 2 enrichment might enhance cell division and induce greater quantity of epicuticular wax.

A Facile Li_(2)TiO_(3) Surface Modification to Improve the Structure Stability and Electrochemical Performance of Full Concentration Gradient Li-Rich Oxides

Full concentration gradient lithium-rich layered oxides are catching lots of interest as the next generation cathode for lithium-ion batteries due to their high discharge voltage,reduced voltage decay and enhanced rate performance,whereas the high lithium residues on its surface impairs the structure stability and long-term cycle performance.Herein,a facile multifunctional surface modification method is implemented to eliminate surface lithium residues of full concentration gradient lithium-rich layered oxides by a wet chemistry reaction with tetrabutyl titanate and the post-annealing process.It realizes not only a stable Li_(2)TiO_(3)coating layer with 3D diffusion channels for fast Li^(+)ions transfer,but also dopes partial Ti^(4+)ions into the sub-surface region of full concentration gradient lithium-rich layered oxides to further strengthen its crystal structure.Consequently,the modified full concentration gradient lithium-rich layered oxides exhibit improved structure stability,elevated thermal stability with decomposition temperature from 289.57℃to 321.72℃,and enhanced cycle performance(205.1 mAh g^(-1)after 150 cycles)with slowed voltage drop(1.67 mV per cycle).This work proposes a facile and integrated modification method to enhance the comprehensive performance of full concentration gradient lithium-rich layered oxides,which can facilitate its practical application for developing higher energy density lithium-ion batteries.

Investigation of the Interaction Mechanism between Lignin Structural Units and Enzyme

The effect of lignin structural units on enzymatic hydrolysis of lignocellulosic biomass was investigated,especially the inhibitory role of lignin in non-productive adsorption with enzymes.Milled wood lignin(MWL)was isolated from different hardwoods of poplar,eucalyptus and acacia.The isolated lignin samples were characterized by elemental analysis,gel permeation chromatography,nitrobenzene oxidation and fourier infrared spectroscopy.The mechanism of lignin structural units on enzymatic hydrolysis of cellulose was studied by quartz crystal microbalance(QCM).The results showed that different structural units of lignin had different adsorption capacity for enzymes.The results of nitrobenzene oxidation indicated that the S/G ratio(S:syringyl-like lignin structures;G:guaiacyl-like lignin structures)of lignin of poplar was 0.99,that of eucalyptus was 1.92 and that of acacia was 1.34.According to the results of QCM,the adsorption capacity of the three lignin films was as follows:Poplar MWL(S/G ratio 0.99)<Acacia MWL(S/G ratio 1.34)<Eucalyptus MWL(S/G ratio 1.92).Eucalyptus MWL with higher degree of condensation and S/G ratio showed stronger affinity to enzymes and more non-productive adsorption with enzymes,resulting in less adsorption between enzymes and cellulose,and lower enzymatic hydrolysis efficiency.

Effect of Structural Units on the Adhesion of Acrylic Copolymers to Fibers for Warp Sizing

Radical copolymerization of acrylic acid(AA)with acrylamide(AM)or acrylamide/acrylonitrile(AM/AN)was initiated with ammonium persulfate as initiator to produce acrylic copolymers such as bicopolymer poly(AM-co-AA)and tercopolymer poly(AM-co-AN-co-AA)for revealing the effects of the structural units of the copolymers on the adhesion of the copolymers to polyester or cotton fibers for warp sizing.The adhesion was evaluated in terms of tensile strength and work-to-break of a roving impregnated with the copolymer solution.It was found that the adhesion strongly depended on type and amount of the units incorporated into the copolymeric chains.Whether the fiber is cotton or polyester,the adhesion of the bicopolymer poly(AM-co-AA)is greater than that of polyacrylic acid or polyacyamide.Excessively increasing the amount of AM or AA unit in poly(AM-co-AA)lowers the adhesion.To enhance the adhesion of the bicopolymer,a favorable mole ratio of AM to AA is 70/30.Based on this mole ratio,incorporation of acrylonitrile units into poly(AM-co-AA)to form tercopolymer enhances the adhesion.

Coordination properties and structural units distribution of Q_T^i in calcium aluminosilicate melts from MD simulation

The distribution of Al （j） and the structural units distribution of Qi T in calcium aluminosilicate melts were studied by means of molecular dynamics simulation. The results show that provided there exists lower-field strength cation relative to Al3+, such as alkaline and alkaline earth metals, Al will be four-coordinated but not six-coordinated. Meanwhile, if there exist a large number of higher-field strength cations such as Si4+ and little lower-field strength cation, six-coordinated aluminum will be formed. The relation of structural units distribution of Qi T with chemical composition shift was also extracted, showing that as Ca2+ exists, the distributions of Qi Si, Qi Al or Qi T have the similar changing trend with the variation of component. Because of high-temperature effect, the Al-tetrahedral units in melts are greatly active and unstable and there exist dynamic transforming equilibria of Al（3）Al（4） and （Al（5））Al（4）. The three-coordinated oxygen and charge-compensated bridging oxygen are proposed to explain phenomena of the negative charge redundancy of AlO4 and location of network modifier with charge-compensated function in aluminosilicate melts.

Numerical Analysis of the Influence of Geometry of Ceramic Units （Blocks） on Structural Walls

This paper presents finite element results of ceramic masonry prisms and walls under concentric compression. Four different hole geometries of ceramic units were studied （called Types A, B, C and D）. The A-type unit had two rectangular hollows, B-type and C-type units have two rounded hollows and different net areas, mad the D-type unit had two rectangular hollows and a double central web. This study analyzed units, prisms and structural walls joined by bedding mortar. The objective was to verify the stress distribution in units and mortars. The results showed that the distribution of compressive stress along the length and width of those units was uniform, but lateral tensile stress along the length was distinct for different geometries. In addition, this study observed that hollow shapes have an important influence in stress distribution. The D-type unit was the one that showed more uniform tension distribution, without peaks of stress concentration. This indicates that a D-type unit is the most efficient unit for use in masonry structures.

Analysis on Structural Control of Coal Distribution in the Northern Qaidam Basin,NW China

The distribution of the Jurassic coal measures in the northern Qaidam Basin is obviously controlled by the regional structures. Based on the existing data of coalfield exploration and combined with the analysis of coalfield basement structures, features of the main faults, and the distribution of coal measures, this paper brings forward a scheme of coalfield tectonic divisional units and the definition of the coal-controlling structural styles in the northern Qaidam Basin. The structure control of the distribution of coal measures is further discussed. Several stages of regional tectonic activities since the Indosinian has led to the distribution of coal measures into the characteristics of zonation from the north to south and block from east to west. The results indicate that the structural deformations are the most intense in the front of the three uplifted belts, which are characterized by the combination of thrusts. The coal measures are uplifted to the shallow formations, and are easy to be exploited, but the scale of mines is small because of serious damages by the coal distribution. On the contrary, the stress and strain are weak in the three depressions, with the coal-controlling structural styles being mainly the thrust-fold and thrust-monocline combinations. The distribution of coals in the depressions is relatively stable. The shallower part of the depression will become the key areas for exploration and development of coal resources in the northern Qaidam Basin.

Architecture of volcanic sequence and its structural control of Yingcheng Formation in Songliao Basin

Yingcheng Formation is a set of volcanic strata composed of lava rocks,volcanic clastic rocks and sedimentary rocks,filled in some fault depressions in Songliao Basin,early Cretaceous.The study about litho-facies succession of Yingcheng Formation in the outcropped area of the southeast margin and in Xujiaweizi fault depression and its distribution based on analysis of seismic data,shows that the sequence of volcanic strata is quite different from the clastic sedimentary sequence.To study the architecture of volcanic sequence and its structural control of Yingcheng Formation in Songliao Basin,in this work,dividing of the volcanic sequence and dating of the sequence boundaries were finished firstly,then displacement and displacement rate of faults were calculated.The results show that,sample ages of top of the first member,the seconde member,and the third member are 127 Ma,115 Ma,110.7 Ma,respectively and sample age of the bottom of the third member is 114.7 Ma.The maximum displacement and displacement rate of the fault 1 are 3 km and 300 m/Ma,respectively,and those of the fault 2 are 3 km and 1000 m/Ma.Studies suggest that,the cooling unit of lava rock or pyroclastic rock is a basic genetic stratigraphic unit in volcanic sequence stratigraphy.Cooling units can construct a parasequence reflecting a volcanic eruption stage.A sequence was superimposed by some parasequences,responding to a volcanic active cycle.There are three types of volcanic sequences in Yingcheng Formation: type of explosion,type of effusion and type of mixed explosion-effusion.The surface of the volcanic sequence,an unconformity surface widely spread and traced in seismic profiles,is a base for analysis of volcanic sequence.The development of volcanic sequence was controlled by faulting,and the curves of fault displacement(rate)can reflect this control.The preservation of volcanic sequence was controlled by the type of volcanic structure and the regional subsidence,also different from that of the sedimentary.The type of volcanic structure of Xujiaweizi was a volcanic depression during the forming of Yingcheng Formation,and the breakdowns of volcanoes and structural subsidence were key factors in the volcanic sequences preservation.

Reduction of Cr(Ⅵ) with a relative high concentration using different kinds of zero-valent iron powders: Focusing on effect of carbon content and structure on reducibility

Reduction of Cr(VI)using zero-valent iron(ZVI)could not only decrease the amounts of chemicals used for reduction,but also decrease the discharge of sludge.In order to find a desirable ZVI material,reduction of Cr(VI)with a relative high concentration using different kinds of ZVI powders(mainly carbon differences)including reduced Fe,grey cast iron,pig iron,nodular pig iron was carried out.Parameters such as ZVI dosage,type and size affecting on Cr(VI)reduction were firstly examined and grey cast iron was selected as a preferable reducing material,followed by pig iron.Additionally,it was found that the parameters had significant influences on experimental kinetics.Then,morphology and composition of the sample before and after reaction were characterized by SEM,EPMA and XPS analyses to disclose carbon effect on the reducibility.In order to further interpret reaction mechanism,different reaction models were constructed.It was revealed that not only the carbon content could affect the Cr(VI)reduction,but also the carbon structure had an important effect on its reduction.

Research on time structure characteristic of gas concentration sequence in the working face

In the procedure of coal industry production, the losses of the persons and economy caused by the gas explosion accidents are most serious, therefore, prevention and control of the gas explosion accident of the coal mines is an important issue needed to be solved urgently in the safety production work of our coal mines. The characteristic of time structure variation index characteristic was analyzed about gas concentration sequence of three measure points in the NO. 1I 1024 working face. It was found that the value of time variation about three measure points was mostly 1〈δ≤1.5, and gas emission presented consistently strong-clustering state twice, and the value of time variation presented continuous variation state in the active stage of gas concentration. Complex characteristics of the value indicated gas emission was continuously variable in time or space and presented the complex nonlinear characteristics. So the characteristic about gas emission system was correctly depicted and analyzed to gas emission system according to the relation of its state variation and essential of nonlinear system. The result also provided reliable warranty for its continued nonlinear research on gas emission.

Variation of bacterial community associated with Phaeodactylum tricornutum in response to different inorganic nitrogen concentrations

Specific bacterial communities interact with phytoplankton in laboratory algal cultures. These communities influence phytoplankton physiology and metabolism by transforming and exchanging phytoplankton-derived organic matter. Functional bacterial groups may participate in various critical nutrients fluxes within these associations, including nitrogen(N) metabolism. However, it is unclear how bacterial communities and the associated algae respond to changes of phycosphere N conditions. This response may have far-reaching implications for global nutrient cycling, algal bloom formation, and ecosystem function. Here, we identified changes in the bacterial communities associated with Phaeodactylum tricornutum when co-cultured with different forms and concentrations of N based on the Illumina HiSeq sequencing of 16 S rRNA amplicons.Phylogenetic analysis identified Proteobacteria and Bacteroidetes as the dominant phyla, accounting for 99.5% of all sequences. Importantly, bacterial abundance and community structure were more affected by algal abundance than by the form or concentration of inorganic N. The relative abundance of three gammaproteobacterial genera(Marinobacter, Algiphilus and Methylophaga) markedly increased in N-deficient cultures. Thus, some bacterial groups may play a role in the regulation of N metabolism when co-cultured with P.tricornutum.

Research on stress concentration factor of tube joints under pure bending and torsion loading

For fatigue strength design and evaluation as well as for multiaxial fatigue tests analysis of welded structures, the stress concentration factor(SCF) at the weld must be known. In the present study, two common models of multiaxial fatigue tests, tube-plate(TP) model and tube-tube(TT) model are selected as the research objects. SCFs of the two models with various geometric parameters under pure bending and pure torsion loading have been investigated by conducting a series of three-dimensional(3 D) finite element models based on linear elasticity theory. The effect of weld width(w), plate thickness(t), weld toe notch radius(r), and reinforcement angle(θ) on SCF is assessed. The quadratic parametric equations based on t/r are proposed to predict SCFs of the two models, which reveal satisfactory accuracy.

Analysis of Geometrical Parameters of Tubular TY-Joints on Stress Concentration Factors Due to Axial Loads

In this paper,the influence of geometric parameters on the stress concentration factors due to three different types of axial loading on 81 TY tubular structures is studied.Our results reveal that,geometric parameters have a considerable impact on the variation of stress concentration factors on tubular TY-joints under axial loads.Thus,the highest stress concentration factor values are observed on the vertical brace than on the inclined one.The finite element results of the tubular structures were verified by parametric equations and experimental data.A parametric study was carried out by analyses using the nonlinear regression method to obtain parametric equations.These equations are used to calculate stress concentration factors and to analyse the fatigue resistance of TY-joints due to axial loads.

Characteristics Analysis of Chemical Concentration Sensor Based on Three-layer FBG

The three-layer structure model of the fiber Bragg grating is proposed in this paper. And through experimental study and reasoning calculation to verify the three layer structure of the optical waveguide model, so the sensitivity characteristic of the Bragg wavelength to the refractive index of chemical solution is obtained. And the relationships between the concentration and the shift of Bragg wavelength of sucrose, ethanol, and Nacl solution are achieved. Finally the shifts of the Bragg wavelength with the external concentration are obtained by experiments. A kind of simple structure, small size, good stability, high sensitivity chemical concentration sensor is obtained.

Design of Distorted Wave Protection Armor Units

In consideration of the global optimization for engineering projects, a group of calculation formulas have been derived by means of theoretical derivation and model tests. On this basis, a design procedure for the distorted units is proposed, by means of which the distorted units of an anology shape and an identical porosity ratio with the original units can be obtained after conducting a distorted enlargement and a normal contraction. The stability waveheight and stability factor of the distorted unit can be calculated with the enlargement factor, a, of the horizontal dimension of the distorted unit, or with the contraction scale, A , of the contracted distorted unit. As a result, the stability of the armor unit can be significantly improved without increasing the quantity of concrete. For the same wave met by the original units, the thickness of placement of the contracted distorted unit can be obviously reduced, thus, a large quantity of concrete can be saved, consequently, economic benefit can be achieved.

Experiment on the Effect of Sediment Concentration on Flow Structure

The paper studies on the sediment-laden flow by using MicroADV.Laboratory calibration has been conducted to determine the relationship between backscattered signal strength and sediment concentration. Based on the experimental data,the interactions between sediment and fluid in open channel flow are investi- gated.The experiment shows that there exist inner relation between sediment concentration and turbulence, and the relationship is distinctry related to the diameter of particle as well as the flow co...