DILUTE SOLUTION PROPERTIES OF RING-SHAPED POLYSTYRENE II. THE SECOND VIRIAL COEFFICIENTS

Using a low angle laser light scattering photometer (LALLS) the second virial coefficients(A_2) of ring-shaped and linear polystyrene (RPS and LPS) samples were determined in both toluene and butanone solutions. The A_2 of RPS in the good solvent (toluene) is smaller than that of LPS with the same molecular weight, but in the poor solvent (butanone) these two are very close. For RPS in the molecular weight range of 4×10~4——2.2×10~5, we haveA_(2r)=1.28×10~(-2)M_w~(-0.283) (Toluene 25℃) and A_(2r)=5.06×10~(-2...

COMPARISON OF THE BEHAVIOR OF CYCLIC AND LINEAR POLYSTYRENE IN DILUTE-SOLUTION

Using a low angle laser light scattering photometer, the second virial coefficients (A2) of both cyclic and linear polystyrene were determined in cyclohexane, toluene and methyl ethyl ketone (MEK) solutions. From the data obtained in cyclohexane solution the theta-temperature of cyclic polystyrene was determined to be 30-degrees-C. In toluene solution A2 of cyclic polystyrene is smaller than that of linear polystyrene with the same molecular weight, but in MEK the values are similar.

The Complete Proof of the Virial Theorem in the Refined TFD Theory for all Electrons of an Atom in a Solid

The complete proof of the virial theorem in refined Thomas-Fermi-Dirac theory for all electrons of an atom in a solid is given.

Analysis of asymmetrical cold rolling with varying coefficients of friction

In this research, asymmetrical cold rolling was produced by the difference in the coefficient of friction between rolls and sheets rather than the difference of roll radius or rotation speeds. The influence of friction coefficient ratio on the cross shear deformation, rolling pressure and torque was investigated using slab analysis. The results showed that the shear deformation zone length increased with the increase of the friction coefficient ratio. The rolling force decreased only under the condition that the friction coefficient ratio increased while the sum of the friction coefficients was held constant. As the reduction per pass was increased, the shear deformation zone length increased and the rolling force also increased. An increase of the front tension resulted in a decrease of the shear deformation zone length. An increase of back tension, however, led to an increase of the shear deformation zone length. The reduction of rolling torque for the work roll with higher surface roughness was greater than that for the work roll with lower surface roughness. (C) 2002 Elsevier Science B.V. All rights reserved.

一个推广Virial定理的数学方法和应用

本文在提出广义Gauss定理的思路下,提出了广义Stokes定理和一个推广Virial定理的新方法,后者应用于天体磁流体力学和引力平衡问题时得到的结果有:(1)气体具有运动时的平衡系统的判据,(2)磁场对气团形态的影响。应用于实验室等离子体平衡问题时,其结果有:(1)包围在气体中孤立磁场的特性,(2)发现内包无力场必须外包一有力场,(3)无力场的形态,应用于Tokmak等离子体环时的结果有:(1)环的胖瘦对环表面磁压的影响,(2)两个外加磁场分量分别和气压、环的胖瘦,截面形态、环电流分布和逆磁或顺磁的平衡关系,搞清楚了外加磁场约束等离子体总体平衡的物理机制。

A new expression of hardening coefficients for fcc-crystal and calibration of the material constants

In order to describe the effect of latent hardening on the macro-plastic behavior of foc-crystal, a new expression for hardening coefficient is proposed in which there are 12 material constants, each having clear physical meaning. And a method of material constant calibration is suggested and used to determine the material constants of copper and aluminum crystal. The simulated load-elongation curves along various crystallographic orientations are comparable with the experimental ones.

Quantum Efficiency And Temperature Coefficients Of Gainp/Gaas Dual-Junction Solar Cell

GaInP/GaAs dual-junction solar cell with a conversion efficiency of 25.2% has been fabricated using metalorganic chemical vapor deposition (MOCVD) technique. Quantum efficiencies of the solar cell were measured within a temperature range from 25 to 160A degrees C. The results indicate that the quantum efficiencies of the subcells increase slightly with the increasing temperature. And red-shift phenomena of absorption limit for all subcells are observed by increasing the cell's work temperature, which are consistent with the viewpoint of energy gap narrowing effect. The short-circuit current density temperature coefficients dJ (sc)/dT of GaInP subcell and GaAs subcell are determined to be 8.9 and 7.4 mu A/cm(2)/A degrees C from the quantum efficiency data, respectively. And the open-circuit cell voltage temperature coefficients dV (oc)/dT calculated based on a theoretical equation are -2.4 mV/A degrees C and -2.1 mV/A degrees C for GaInP subcell and GaAs subcell.

Influence of vapor transport equilibration on the crystal quality and thermal-expansion coefficients of gamma-LiAlO2

gamma-LiAlO2 (LAO) single crystal has been grown by the Czochralski method. However, its quality was deteriorated due to lithium volatilization during the crystal growth. The full width at half maximum value drops from 116.9 to 44.2 arc sec after the LAO slice was treated by vapor transport equilibration at 1000, 1100, and 1200 degrees C/48 h in sequence. The treated slice shows higher optical transmission than the as-grown one in the measured wavelength range of 190-1900 nm, meanwhile, its absorption edge exhibits a blueshift. According to Raman spectra, the treated slice has homogeneous quality at different depths from surface to 0.01 mm. The expansion coefficient of the treated slice for a axis drops from 17.2398x10(-6)/degrees C to 16.5240x10(-6)/degrees C, and that for c axis drops from 10.7664x10(-6)/degrees C to 10.0786x10(-6)/degrees C.

Quantitative structure-property relationships for octanol-air partition coefficients of polychlorinated naphthalenes, chlorobenzenes and p,p '-DDT

The octanol-air partition coefficient (K-OA) is a key descriptor of chemicals partitioning between the atmosphere and environmental organic phases. Quantitative structure-property relationships (QSPR) are necessary to model and predict KOA from molecular structures. Based on 12 quantum chemical descriptors computed by the PM3 Hamiltonian, using partial least squares (PLS) analysis, a QSPR model for logarithms of K-OA to base 10 (log K-OA) for polychlorinated naphthalenes (PCNs), chlorobenzenes and p,p'-DDT was obtained. The cross-validated Q(cum)(2) value of the model is 0.973, indicating a good predictive ability of the model. The main factors governing log K-OA of the PCNs, chlorobenzenes, and p,p'-DDT are, in order of decreasing importance, molecular size and molecular ability of donating/accepting electrons to participate in intermolecular interactions. The intermolecular dispersive interactions play a leading role in governing log K-OA. The more chlorines in PCN and chlorobenzene molecules, the greater the log K-OA values. Increasing E-LUMO (the energy of the lowest unoccupied molecular orbital) of the molecules leads to decreasing log K-OA values, implying possible intermolecular interactions between the molecules under study and octanol molecules. (C) 2002 Elsevier Science Ltd. All rights reserved.

Quantitative relationships between molecular structures, environmental temperatures and octanol-air partition coefficients of PCDD/Fs

A concise quantitative model that incorporates information on both environmental temperature M and molecular structures, for logarithm of octanol-air partition coefficient (K-OA) to base 10 (logK(OA)) of PCDDs, was developed. Partial least squares (PLS) analysis together with 14 quantum chemical descriptors were used to develop the quantitative relationships between structures, environmental temperatures and properties (QRSETP) model. It has been validated that the obtained QRSETP model can be used to predict logK(OA) of other PCDDs. Molecular size, environmental temperature (T), q(+) (the most positive net atomic charge on hydrogen or chlorine atoms in PCDD molecules) and E-LUMO (the energy of the lowest unoccupied molecular orbital) are main factors governing logK(OA) of PCDD/Fs under study. The intermolecular dispersive interactions and thus the size of the molecules play a leading role in governing logK(OA). The more chlorines in PCDD molecules, the greater the logK(OA) values. Increasing E-LUMO values of the molecules leads to decreasing logK(OA) values, implying possible intermolecular interactions between the molecules under study and octanol molecules. Greater q(+) values results in greater intermolecular electrostatic repulsive interactions between PCDD and octanol molecules and smaller logK(OA) values. (C) 2002 Elsevier Science B.V. All rights reserved.

Quantitative structure-property relationships for octanol-air partition coefficients of polychlorinated biphenyls

Based on nine quantum chemical descriptors computed by PM3 Hamiltonian, using partial least squares analysis, a significant quantitative structure-property relationship for the logarithm of octanol-air partition coefficients (log K-OA) of polychlorinated biphenyls (PCBs) was obtained. The cross-validated Q(cum)(2) value of the model is 0.962, indicating a good predictive ability. The intermolecular dispersive interactions and thus the size of the PCB molecules play a key role in governing log K-OA. The greater the size of PCB molecules, the greater the log K-OA values. Increasing E-LUMO (the energy of the lowest unoccupied molecular orbital) values of the PCBs leads to decreasing log K-OA values, indicating possible interactions between PCB and octanol molecules. Increasing Q(Cl)(+) (the most positive net atomic charges on a chlorine atom) and Q(C)(-) (the largest negative net atomic charge on a carbon atom) values of PCBs results in decreasing log K-OA values, implying possible intermolecular electrostatic interactions between octanol and PCB molecules. (C) 2002 Elsevier Science Ltd. All rights reserved.

Quantitative structure-property relationship studies on n-octanol/water partitioning coefficients of PCDD/Fs

Based on some fundamental quantum chemical descriptors computed by PM3 Hamiltonian, by the use of partial least-squares (PLS) analysis, a significant quantitative structure-property relationship (QSPR) model for logK(ow) of polychlorinated dibenzo-p-dioxins and dibenzo-p-furans (PCDD/Fs) was obtained. The QSPR can be used for prediction. The intermolecular dispersive interactions and thus the bulkness of the PCDD/Fs are the main factors affecting the logK(ow). The more chlorines in the PCDD/F molecule, the greater the logK(ow) values. (C) 2001 Elsevier Science Ltd. All rights reserved.

A column method for determination of soil organic partition coefficients of eight pesticides

A column method was developed to conveniently and reliably determine the soil organic partition coefficients (K-oc) of three insecticides (methiocarb, azinphos-methyl, fenthion), four fungicides (triadimenol, fuberidazole, tebuconazole, pencycuron), and one herbicide (atrazine), in which real soil acted as a stationary phase and the water solution of pesticide as an eluent. The processes of sorption equilibrium were directly shown through a breakthrough curve(BTC). The log K-oc values are 1.69, 1.95, 2.25, 2.55, 2.69, 2.67, 3.10, and 3.33 for atrazine, triadimenol, methiocarb, fuberidazole, azinphos-methyl, tebuconazole, fenthion and pencycuron, respectively.