Structural parameters and molecular model of Shendong subbituminous coal

Coal has a highly complex chemical structure,similar to polymers,coal is a macromolecular structure composed of a large number of“similar compounds”,which is called the basic structural unit.Understanding coal structure is the basis of its transformation and utilization.Shendong(SD)coal was analyzed by FTIR,XRD,XPS,and NMR.The results show that SD coal normalized structure formula is C_(100)H_(68.5)O_(35.7)N_(1.2)S_(0.2)and the average number of aromatic rings is 1.98.-CH_(2)-content accounts for about 82%in aliphatic CeH region,and the ratio of ether bond CeO,aromatic ether C-O and C=O is about 2:1:11 in oxygen-containing functional group region.The d_(002),L_(C),L_(a)and N_(C)of S_(D)coal microcrystalline structure parameters are 0.1832 nm,1.4688 nm,2.0852 nm and 9.017,respectively.Aromatic carbon and aliphatic carbon ratios of SD coal are 55.67%and 29.97%,aromatic cluster size and average methylene chain length are 0.224 and 1.817.Based on these structural parameters,molecular model of SD coal was constructed with^(13)C SSNMR experimental spectra as a reference.The model was constructed with an atom composition of C_(214)H_(214)O_(49)N_(2)S.

Structure Parameters and Physiological Indices Research of High-quality and High-yield Apple Orchards

In order to research environment parameters and physiological indices of high-quality and high-yield apple trees, two orchards with young and mature apples trees were investigated to explore structural parameter of apple tree and community, and some physiological indices in fields and by room measurements. The results showed that tree height of high-quality orchard was in the range of 260 to 290 cm, branch angle in 70°-75°, and orchard coverage rate in 75%-94%, and the connec-tion rates between rows and trees were lower. Furthermore, the total branches of mature orchard reached 1.04 ×106 per hm2, while the young orchard was 8.79 ×105 per hm2; the leaves were thick and chlorophyl content was high, with SPAD value at 58.22. Additional y, the photosynthesis of the orchard was strong, and net photo-synthetic rate was 17.48-21.8 μmolCO2/（m2·s）. The proportions of lateral shoot of bearing part were 81% and 75% respectively.

Estimation and Prediction of Bioconcentration Factors of Nonionic Organic Chemicals in Fish by Electrotopological State Indices and Structural Parameter

Based on the characteristics of atom types, Hall＇s electrotopological state indices （En） are calculated for 165 nonionic organic compounds. On the basis of the characteristics of substituent and conjugated matrix, a novel molecular structure parameter （G） is defined and calculated for 165 molecules in this paper. En and G show good structural selectivity for organic molecules. G, a satisfactory relationship between bioconcentration factor （BCF） and En, is expressed as： 1gBCF = -0.283 ＋ 1.246G ＋ 0.079E42 ＋ 0.351E9- 0.063E17 （n＇ = 122, R = 0.967, F = 425.636, s = 0.394）, which could provide estimation and prediction for the lgBCF of nonionic organic chemicals. Furthermore, the model is examined to validate overall robustness with Jackknife tests, and the independent variables in model do not exist cross correlation with VIF. All these regression results show that the new parameter G and electrotopological state index have good rationality and efficiency. It is concluded that the En and G will be used widely in quantitative structure-property/activity relationship （QSPR/QSAR） research.

EFFECT OF STRUCTURAL PARAMETERS ON THE THERMAL STRESS OF A NiFe_(2)O_(4)-BASED CERMET INERT ANODE IN ALUMINUM ELECTROLYSIS

Inert anode has been a hot issue in the aluminum industry for many decades. With the help of FEA （finite element analysis） software ANSYS, a model was developed to simulate the thermal stress distribution working condition of an inert anode. To reduce its thermal stress, the effect of some parameters on the thermal stress distribution was investigated, including the anode height, the anode radius, the hole depth, the hole radius, and the radius of inner chamfer and outer chamfer. The results showed that in the actual working condition of an inert anode, there existed a large axial tensile stress near the tangent interface between the anode and bath, which was the major cause of anode breaking. Increasing the anode height and reducing the hole depth properly seemed to be beneficial for the stress distribution. With the increase of anode radius, the stress distribution became better first and then deteriorated, the reasonable value was between 0.045 to 0.06m. The hole radius had a significant effect on the stress and a smaller radius would reduce the thermal stress. The effect of the radius of the inner chamfer and the outer chamfer was less than other parameters.

Probabilistic model and analysis of coupled train-ballasted track-subgrade system with uncertain structural parameters

Random dynamic responses caused by the uncertainty of structural parameters of the coupled train-ballasted track-subgrade system under train loading can pose safety concerns to the train operation.This paper introduced a computational model for analyzing probabilistic dynamic responses of three-dimensional(3D)coupled train-ballasted track-subgrade system(TBTSS),where the coupling effects of uncertain rail irregularities,stiffness and damping properties of ballast and subgrade layers were simultaneously considered.The number theoretical method(NTM)was employed to design discrete points for the multi-dimensional stochastic parameters.The time-histories of stochastic dynamic vibrations of the TBSS with systematically uncertain structural parameters were calculated accurately and efficiently by employing the probability density evolution method(PDEM).The model-predicted results were consistent with those by the Monte Carlo simulation method.A sensitivity study was performed to assess the relative importance of those uncertain structural parameters,based on which a case study was presented to explore the stochastic probability evolution mechanism of such train-ballasted track-subgrade system.

Modeling Approach and Analysis of the Structural Parameters of an Inductively Coupled Plasma Etcher Based on a Regression Orthogonal Design

The geometry of an inductively coupled plasma （ICP） etcher is usually considered to be an important factor for determining both plasma and process uniformity over a large wafer. During the past few decades, these parameters were determined by the ＂trial and error＂ method, resulting in wastes of time and funds. In this paper, a new approach of regression orthogonal design with plasma simulation experiments is proposed to investigate the sensitivity of the structural parameters on the uniformity of plasma characteristics. The tool for simulating plasma is CFD-ACE＋, which is commercial multi-physical modeling software that has been proven to be accurate for plasma simulation. The simulated experimental results are analyzed to get a regression equation on three structural parameters. Through this equation, engineers can compute the uniformity of the electron number density rapidly without modeling by CFD-ACE＋. An optimization performed at the end produces good results.

3D structure parameterization design and modeling for irregular structure of stope bottom

Stope mining design is a very important and complicated task in daily production design and technical management of an underground mine.Based on workface technology and human-computer interaction technology,this study introduces a method of 3D parametric design for the irregular structure of stope bottoms,and focuses on solving technical problems in surface modeling of stope bottom structure.Optimization of the minimum span length algorithm(MSLA) and the shortest path search algorithm(SPSA) is conducted to solve the problem of contour-line based instant modeling of stope bottom structures,which makes possible the 3D parametric design for irregular structure of stope bottom.Implementation process and relevant methods of the proposed algorithms are also presented.Feasibility and reliability of the proposed modeling method are testified in a case study.In practice,the proposed 3 D parameterization design method for irregular structure stope bottom proves to be very helpful to precise 3D parametric design.This method is capable of contributing to improved efficiency and precision of stope design,and is worthy of promotion.

Optimal design of structural parameters for shield cutterhead based on fuzzy mathematics and multi-objective genetic algorithm

In order to improve the strength and stiffness of shield cutterhead, the method of fuzzy mathematics theory in combination with the finite element analysis is adopted. An optimal design model of structural parameters for shield cutterhead is formulated,based on the complex engineering technical requirements. In the model, as the objective function of the model is a composite function of the strength and stiffness, the response surface method is applied to formulate the approximate function of objective function in order to reduce the solution scale of optimal problem. A multi-objective genetic algorithm is used to solve the cutterhead structure design problem and the change rule of the stress-strain with various structural parameters as well as their optimal values were researched under specific geological conditions. The results show that compared with original cutterhead structure scheme, the obtained optimal scheme of the cutterhead structure can greatly improve the strength and stiffness of the cutterhead, which can be seen from the reduction of its maximum equivalent stress by 21.2%, that of its maximum deformation by 0.75%, and that of its mass by 1.04%.

Additivity of pore structural parameters of granular activated carbons derived from different coals and their blends

A series of granular activated carbons （GACs） were prepared by briquetting method from Chinese coals of different ranks and their blends, with coal pitch as the binder. Pore structural parameters including BET specific surface area （SBEr）, total pore volume （Vr） and average pore diameter （da） were measured and cal- culated as well as process parameters such as yield of char （CY） and burn-off （B）. The relationship between the pore structural parameters of the GAC from coal blend （BC-GAC） and the ones of the GACs from corresponding single coals （SC-GACs） was analyzed, in which an index, the relative error （δ）, was presented to define the bias between fitted values and experimental values of these parameters of the BC-GACs. The results show that the BC-GAC keeps qualitatively the pore structural features of the SC-GACs; as concerned as the quantitative relationship, the pore structural parameters of the BC-GAC from coal blend consisting of non-caking coals can be obtained by adding proportionally the pore structural parameters of the SC-GACs with a less than 10%. Meanwhile, for the BC-GAC from coal blend containing weak caking bituminous coal, the δ increases up to 25% and the experimental pore size distribution differs greatly from the fitted one.

Integrated Optimization of Structure and Control Parameters for the Height Control System of a Vertical Spindle Cotton Picker

Vertical picking method is a predominate method used to harvest cotton crop.However,a vertical picking method may cause spindle bending of the cotton picker if spindles collide with stones on the cotton field.Thus,how to realize a precise height control of the cotton picker is a crucial issue to be solved.The objective of this study is to design a height control system to avoid the collision.To design it,the mathematical models are established first.Then a multi-objective optimization model represented by structure parameters and control parameters is proposed to take the pressure of chamber without piston,response time and displacement error of the height control system as the opti-mization objectives.An integrated optimization approach that combines optimization via simulation,particle swarm optimization and simulated annealing is proposed to solve the model.Simulation and experimental test results show that the proposed integrated optimization approach can not only reduce the pressure of chamber without piston,but also decrease the response time and displacement error of the height control system.

STRUCTURAL PARAMETERS CALIBRATION BY POSTURE MEASUREMENT ON PARALLEL 6-DOF PLATFORM

Some approaches to measure parallel 6-degree of freedom platform's posturestatically and to calibrate the platform's actual structural parameters by measuring a series of theplatform's varying postures are studied. In the case where high posture accuracy is requiredrelatively, to obtain the platform's actual structural parameters is very important. Threedimensions measurement with 2 theodolites are used to obtain the platform's postures statically andNewton iterative method is adopted to calibrate structural parameters. Some measures taken in themeasurement and the calibration are discussed in detail. And the experiment results of theplatform's posture control before and after the calibration are given. The results show that theplatform's posture control accuracy after the calibration is improved notably.

Effects of structural and operating parameters of ECP fan on dust particles removed in the transition flow regime

An enclosed cyclone passageway(ECP)dust-collecting fan is discussed.The ECP fan separates dust by centrifugal force originating from a driven spiral airflow,and its design takes the constraints of Chinese underground coal mines into consideration.Using the force equilibrium law,a general equation for dust removal in the centrifugal dust removal section(CDRS)of the ECP fan is deduced.This general equation is simplified using the CDRS structure and the fan operating parameters and is analysed numerically.The attractive results show that increases in the airflow rate of the fan,the structural ratio of the ECPs and the radius of the extended axis can improve the dust removal performance of the CDRS.Furthermore,the effects of the structural ratio and the radius on dust removal dominate over that of the flow rate,and the effect of the structural ratio is more significant than that of the radius.

STRUCTURE PARAMETERS DESIGN AND PERFORMANCE TEST OF FUEL INJECTION SYSTEM

Based on the numerical simulation analysis, structure parameters of the high pressure fuel pump and common rail as well as flow limiter are designed and the GD-1 high pressure common rail fuel injection system is self-developed. Fuel injection characteristics experiment is performed on the GD-1 system. And double-factor variance analysis is applied to investigate the influence of the rail pressure and injection pulse width on the consistency of fuel injection quantity, thus to test whether the design of structure parameters is sound accordingly. The results of experiment and test show that rail pressure and injection pulse width as well as their mutual-effect have no influence on the injection quantity consistency, which proves that the structure parameters design is successful and performance of GD-1 system is sound.

Influence of Structural Parameters of Turbocharger Floating Bearing on Its Dynamic Characteristic Coefficients

The structure parameters in an actual industrial production have a great influence on the coefficient of supercharger floating bearing dynamic characteristics,but there has been little systematic study so far.In this paper,the influence of structural parameters of the turbocharger floating bearing on its dynamic characteristic coefficientsis systematically investigated based on the theories of hydrodynamic lubrication and tribology.The influence of clearance ratio on eccentricity and the influence of internal to external radius ratios,and Sommerfeld number were analyzed.A new formula of responding characteristics of the oil film force caused by the displacement or velocity disturbance was deduced near an equilibrium in the steady state.Applying the newly developed formula,the dynamic characteristic was studied for floating bearings.Regularity for change of oil film stiffness and damping was analyzed with the structural parameters of floating bearing such as radius ratios and eccentricity.It has been found that the clearance ratio increases with eccentricity when the radius ratio is unchanged.The eccentricity decreases with the internal to external radius ratio of floating rings when the clearance ratio is constant.The absolute value of total principal stiffness and total main damping decrease with the clearance ratio and radius ratio of floating rings when the total cross damping is stable.The results and findings in this paper can contribute to nonlinear dynamics designs of turbocharger rotor-bearing systems.

Carbody Structural Lightweighting Based on Implicit Parameterized Model

Most of recent research on carbody lightweighting has focused on substitute material and new processing technologies rather than structures. However, new materials and processing techniques inevitably lead to higher costs. Also, material substitution and processing lightweighting have to be realized through body structural profiles and locations. In the huge conventional workload of lightweight optimization, model modifications involve heavy manual work, and it always leads to a large number of iteration calculations. As a new technique in carbody lightweighting, the implicit parameterization is used to optimize the carbody structure to improve the materials utilization rate in this paper. The implicit parameterized structural modeling enables the use of automatic modification and rapid multidisciplinary design optimization （MDO） in carbody structure, which is impossible in the traditional structure finite element method （FEM） without parameterization. The structural SFE parameterized model is built in accordance with the car structural FE model in concept development stage, and it is validated by some structural performance data. The validated SFE structural parameterized model can be used to generate rapidly and automatically FE model and evaluate different design variables group in the integrated MDO loop. The lightweighting result of body-in-white （BIW） after the optimization rounds reveals that the implicit parameterized model makes automatic MDO feasible and can significantly improve the computational efficiency of carbody structural lightweighting. This paper proposes the integrated method of implicit parameterized model and MDO, which has the obvious practical advantage and industrial significance in the carbody structural lightweighting design.

Studies on Standard Formation Enthalpies of Rare Earth Compounds by Using Structural Parameters

The atomic structural parameter P-i = (Z(i)*/n(i)*) (1 + n(i)*/n(i)) (1 + m(i)/Z) and the molecular structural parameter [GRAPHICS] are defined. The standard formation enthalpies (Delta(f)H(m)(phi)) of 74 species of rare earth compounds were studied with P, and the correlation coefficient is R > 0.94. The structural factors and the properties of rare earth compounds are influenced by the Z(i)*, n(i)*, n(i), m(i), Z. This study has special referential value to predict the properties of rare earth compounds.

Relationship between initial efficiency and structure parameters of carbon anode material for Li-ion battery

The initial efficiency is a very important criterion for carbon anode material of Li-ion battery.The relationship between initial efficiency and structure parameters of carbon anode material of Li-ion battery was investigated by an artificial intelligence approach called Random Forests using D10,D50,D90,BET specific surface area and TP density as inputs,initial efficiency as output.The results give good classification performance with 91%accuracy.The variable importance analysis results show the impact of 5 variables on the initial efficiency descends in the order of D90,TP density,BET specific surface area,D50 and D10;smaller D90 and larger TP density have positive impact on initial efficiency.The contribution of BET specific surface area on classification is only 18.74%,which indicates the shortcoming of BET specific surface area as a widely used parameter for initial efficiency evaluation.

Investigation of structural parameters and self-aggregation of Algerian asphaltenes in organic solvents

Elemental analysis, Fourier transform infrared （FTIR）, 1H-NMR, fluorescence spectroscopy, and surface tension methods have been used to characterize the molecular structure and the aggregation behaviors of two asphaltenic fractions derived, respectively, from an Alge- rian petroleum well and a corresponding storage tank deposit. Elemental analysis, FTIR, ~H-NMR, and fluores- cence spectroscopy were used to investigate the chemical composition and structural parameters of asphaltenes, while the surface tension method was used to measure the critical micelle concentration （CMC） in organic solvents with different solubility parameters and polarities in order to characterize the asphaltenes＇ aggregation behaviors. Results show that the unstable asphaltenes fraction extracted from the storage tank deposit possesses a higher polarity （higher heteroatoms content） and a lower aro- maticity than stable asphaltenes from the petroleum well. The CMC results indicate that asphaltenes with high polarity and low aromaticity have a high solubility in polar solvents such as nitrobenzene, whereas asphaltenes with low polarity and high aromaticity are more soluble in solvents with weak polarity, like toluene. It is concludedthat the difference of structure of asphaltene samples and polarity of solvents can lead to difference of aggregation behaviors.

Prediction of Superconductivity for Oxides Based on Structural Parameters and Artificial Neural Network Method

Superconductive properties for oxides were predicted by artificial neural network (ANN) method with structural and chemical parameters as inputs. The predicted properties include superconductivity for oxides, distributed ranges of the superconductive transition temperature (Tc) for complex oxides, and Tc values for cuprate superconductors. The calculated results indicated that the adjusted ANN can be used to predict superconductive properties for unknown oxides.

Study on Properties and Structural Parameters of Microemulsion CTAB/Butanol/Cyclohexane/Salt Aqueous Solution

The phase diagrams of microemulsion CTAB/butanol/cyclohexane/aqueous solution of nitrate (or aqueous solution of ammonium salt) were determined and the structural parameters and ΔG*o→i were obtained by means of dilution method and theoretical calculation. The effect of different w/s and salt concentration on the stability and structural parameters of microemulsion were investigated. The result shows that with the increase of w/s, the area of microemulsion and Nd decrease, Rw, l and n increase; with the increase of salt concentration, the area of microemulsion, l and Nd decrease, ΔG*o→I, Rw and n increase. Theoretical basis of preparing size-controlled long afterglow luminescence materials and study of the relationship between fluorescence properties and particle size are provided.