扩散模型和凝聚模型耦合作用下胶体凝聚动力学的Monte Carlo模拟研究

以扩散模型(Ds(γ)=D0×sγ)和凝聚模型(Pij(σ)=P0×(i×j)σ)为基础,对胶体体系随时间的演变、团簇大小分布及其标度关系、团簇的重均大小S(t)的变化规律以及模型对最终分形维数的影响四个角度进行了比较研究,发现扩散指数γ0和凝聚概率指数σ0对胶体的凝聚动力学过程有相似的影响.本文在较宽的γ和σ取值范围内,对胶体的凝聚动力学进行了模拟研究,对慢速凝聚向快速凝聚的转化机理作了定量分析,并进一步分析了在团簇-团簇凝聚(CCA)模型下,得到类似扩散置限凝聚(DLA)模型的凝聚体的物理意义,结果表明:(1)γ0代表了体系中团簇或单粒做"定向运动"而非无规则的布朗运动的情况.这种"定向运动"的推动力可能来自于大团簇产生的强"长程范德华力"、"电场力"等,或来自于体系边界处的外力场的作用.(2)当σ0时,体系成为先快后慢的慢速凝聚,这可能对应大团簇为一排斥中心,即胶体颗粒存在"排斥力场"的现象.(3)证实了团簇的重均大小在凝聚过程的早期按指数规律增长,而后期按幂函数规律增长的实验现象.模拟研究还表明,胶体体系的凝聚动力学过程,在σ0时是一个存在正反馈机制的非线性动力学过程,而在σ0时则体现出负反馈的特征.     

The roles of diffusivity and curvature in patterns on surfaces of revolution

We address the question of finding sufficient conditions for existence as well as nonexistence of nonconstant stable stationary solution to the diffusion equation _ut=div(a∇u)+f(u)$u_t=\mathrm{div}(a\mathrm{\nabla }u)+f(u)$ on a surface of revolution with and without boundary. Conditions found relate the diffusivity function a and the geometry of the surface where diffusion takes place. In the case where f is a bistable function, necessary conditions for the development of inner transition layers are given.     

Comparison of the accuracy of curve-fitting methods for the determination of gas permeability parameters of sheet polymer samples

Accuracy of the gas permeability parameters (GPPs), i.e. solubility, diffusivity and permeability deduced from permeation measurements, is investigated for the case of homogeneous polymer sheet samples. The widely used time-lag method (TLM) and the recently introduced full curve-fitting method (FCFM) are compared on simulated and on measured permeation curves artificially distorted in various ways in order to mimic potential deficiencies of permeation measurements. Accuracy of the methods is defined as the relative deviation of the calculated from the real GPPs, i.e. those which are deduced from the distorted and the original, non-distorted curves, respectively. The following distortions have been applied: temporal truncation of the permeation curves, increasing the noise level of the measurement and shifting the permeation curve either along the concentration or the time axis. (The latter two transformations correspond to an unnoticed background shift in the readings of the concentration detection unit and an uncertainty in the actual inception of the permeation process, respectively). While all these distortions mimic realistic deficiencies of permeation measurements, the last one is relevant only in case of fast permeation processes through highly permeable membranes. For all but the last transformation, FCFM has been found to yield more accurate GPPs than TLM.     

具源项的奇异扩散方程解的存在性及渐近性

讨论了一类具源项的奇异扩散方程的第二初边值问题,证明了经典解的存在性以及时间充分大时解的渐近性质.     

Mechanical damage and thermal effect induced by ultrasonic treatment in olive leaf tissue. Impact on polyphenols recovery

The influence of ultrasound treatment (US) on cellular damage of olive leaf tissue was studied. Mechanical damage and thermal effect of US were characterized. The level of tissue damage was defined by the diffusivity disintegration index Z_D based on the diffusivity of solutes extracted from olive leaves differently treated. The Arrhenius form using the temperature dependences of the thermal treatment time within the temperature interval 20–90 °C was observed for the thermal process. The corresponding activation energy ΔUT was estimated as 57 kJ/mol. The temperature dependences of electrical conductivity were measured for extracts of intact and maximally treated olive leaves. Then the diffusivity disintegration index Z_D and total phenolic compounds recovery for three studied US powers were calculated (100, 200, and 400 W). The results evidenced that the mechanically stimulated damage in olive leaf tissue can occur even at a low US power of 100 W if treatment time is long enough (t = 3.5 h). The US treatment noticeably accelerated the diffusion process mechanically in addition to its thermal effect. Trials in aqueous solution revealed the dependence of polyphenols extraction on damage level with respect to the US power applied.     

Studies of internal magnetic fluctuation in the HL-1M tokamak

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Sorption kinetics of 1-fluoro-1,1-dichloroethane in vinylidene chloride-acrylonitrile-styrene terpolymer

The sorption kinetics of liquid 1-fluoro-1,1-dichloroethane (HCFC-141b) and its vapor in vinylidene chloride (VDC)-acrylonitrile (AN)-styrene (St) terpolymers were investigated by weight gain method. It was found that the sequence of the effect of monomer unit on the barrier property for HCFC-141b is AN>VDC>St at the same molar content. The diffusion mechanism of HCFC-141b in VDC-AN-St terpolymer depends on the glass transition temperature (T_g) of VDC terpolymers, sorption temperature, vapor pressure and so on. For Fickian diffusion, the diffusivity (D) is exponential function of vapor pressure at the same temperature. A quantitative relationship between D in terms of HCFC-141b in VDC-AN-St terpolymer with composition VDC/AN/St=55.7/12.9/31.4 (wt), temperature and activity was obtained, and the activation energy of diffusion is 37.68 KJ/mol.     

Chiral separation membranes from modified polysulfone having myrtenal-derived terpenoid side groups

Novel polymeric materials, having a chiral environment, were obtained by the reaction of lithiated polysulfone with chiral terpenoid myrtenal. The resulting polymers gave self-standing durable membranes. Molecularly imprinted membranes were prepared from the novel myrtenal-containing polysulfones by the presence of print molecules during the membrane preparation process. The d-isomer imprinted membrane showed d-isomer adsorption and diffusivity selectivity, and vice versa. As a result, the d-isomer imprinted membrane transported the d-isomer in preference to the l-isomer, and vice versa. The control non-imprinted membrane also showed permselectivity toward racemic glutamic acid mixtures. The expression of permselectivity for the molecularly imprinted membranes was synergistically due to adsorption and diffusivity selectivity.     

硅酸盐岩石微孔中流体混合物扩散系数的分子动力学模拟

用计算机模拟研究了受限于硅酸盐岩石微孔中等摩尔氩氪流体混合物的扩散系数.为验证程序的正确性,分别将宏量条件下氩和氪的分子动力学模拟值与文献实验值进行了比较.然后,对受限于硅酸岩平板壁面中氩氪流体混合物的扩散系数进行了模拟计算.根据计算结果提出了五个不同对比壁间距下氩氪混合流体扩散系数的经验模型,这些模型可应用于工业估算.     

C60-甲苯溶液溶剂化作用

The solvation of the system of C60-toluene is studied by determining UV-Vis absorption spectrum, it is found that the maximum absorption wavelength of C60 exhibits red-shift in toluene medium. Viscosity measurement gives the thickness of the solvation layer as 0.85 nm. At temperature 30℃, the value of the diffusion coefficient is 3.12× 10-10m2•s-1 which is an order of magnitude less than that of small molecules. The results above indicate that C60 is solvated in toluene medium.