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101.
Foaming injected gas is a useful and promising technique for achieving mobility control in porous media. Typically, such foams are aqueous. In the presence of foam, gas and liquid flow behavior is determined by bubble size or foam texture. The thin-liquid films that separate foam into bubbles must be relatively stable for a foam to be finely textured and thereby be effective as a displacing or blocking agent. Film stability is a strong function of surfactant concentration and type. This work studies foam flow behavior at a variety of surfactant concentrations using experiments and a numerical model. Thus, the foam behavior examined spans from strong to weak.Specifically, a suite of foam displacements over a range of surfactant concentrations in a roughly 7m2, one-dimensional sandpack are monitored using X-ray computed tomography (CT). Sequential pressure taps are employed to measure flow resistance. Nitrogen is the gas and an alpha olefin sulfonate (AOS 1416) in brine is the foamer. Surfactant concentrations studied vary from 0.005 to 1wt%. Because foam mobility depends strongly upon its texture, a bubble population balance model is both useful and necessary to describe the experimental results thoroughly and self consistently. Excellent agreement is found between experiment and theory. 相似文献
102.
采用油酸盐法分别制备出均匀的上转换发光裸核纳米粒子及其包覆具有不同Yb3+浓度掺杂的NaYF4:Yb3+,Er3+核壳纳米结构的上转换纳米粒子。在不同温度下(90~450 K),研究分析了在壳中掺杂不同浓度Yb3+的NaYF4:Yb3+,Er3+@NaYF4:x%Yb3+核壳纳米体系的上转换发光特性。结果表明:在NaYF4:Yb3+,Er3+上转换体系中,惰性壳中的525 nm(2H11/2 →4I15/2)发射峰呈现出与活性壳中不一样的趋势。壳层中掺杂的Yb3+通过声子对纳米粒子内部发光与表面及外界之间的相互作用起到了重要的"桥"连作用。 相似文献
103.
A new population-based incremental learning algorithm for conformational searching of molecules is presented. This algorithm is particularly effective at determining, by relatively small number of energy minimizations, global energy minima of large flexible molecules. The algorithm is also able to find a large set of low energy conformations of more rigid small molecules. The performance of the algorithm is relation to other algorithm is examined via the test molecules: C(18) H(38) , C(39)H(80) , cycloheptadecane and a set of five drug-like molecules. 相似文献
104.
Vasiliy Ye. Belozyorov 《Applied mathematics and computation》2011,218(8):4546-4566
The wide class of 3-D autonomous systems of quadratic differential equations, in each of which either there is a couple of coexisting limit cycles or there is a couple of coexisting chaotic attractors, is found. In the second case the couple consists of either Lorentz-type attractor and another attractor of a new type or two Lorentz-type attractors. It is shown that the chaotic behavior of any system of the indicated class can be described by the Ricker discrete population model: zi+1 = zi exp(r − zi), r > 0, zi > 0, i = 0, 1, … . The values of parameters, at which in the 3-D system appears either the couple of limit cycles or the couple of chaotic attractors, or only one limit cycle, or only one sphere-shaped chaotic attractor, are indicated. Examples are given. 相似文献
105.
Julong Wu Xiaojun Li Bing Ma Maosheng Tian Shirong Li 《International journal of quantum chemistry》2011,111(14):3786-3792
The structure, electronic property, and infrared spectroscopy of endohedral metallofullerenes TM@C20 (TM = Ce and Gd) have been systematically investigated with the aid of the hybrid DFT‐B3LYP functional. It is found that in the endohedral metallofullerenes the average C? C bond lengths are obvious longer than those of empty cage. The frontier orbital analyses show that the endohedral metallofullerene Gd@C20 has the high‐thermodynamic stability. Natural population analysis also tells us that only in the Ce@C20, the Ce atom acts as an electron acceptor with the negative charges, and the 4f orbitals of Ce and Gd atoms have a significant contribution in the formation of chemical bonding. Additionally, the analyses of harmonic vibrational frequencies reveal that when the TM atoms are encapsulated into the C20 cage, the strongest absorption peaks are characterized by a mixture of TM?C bending and C? C stretching vibrations. © 2010 Wiley Periodicals, Inc. Int J Quantum Chem, 2011 相似文献
106.
2‐Acetylcyclopentanone (2‐ACP), which is a β‐dicarbonyl compound, undergoes keto–enol isomerization, and its enol tautomers are stabilized by a cyclic intramolecular hydrogen bond. 2‐ACP (keto form) has symmetric and asymmetric vibrational modes of the two carbonyl groups at 1748 and 1715 cm?1, respectively, which are well separated from the carbonyl modes of its enol tautomers in the FTIR spectrum. We have investigated 2‐ACP dissolved in carbon tetrachloride by 2D IR spectroscopy and IR pump–probe spectroscopy. Vibrational population transfer dynamics between the two carbonyl modes were observed by 2D IR spectroscopy. To extract the population exchange dynamics (i.e., the down‐ and uphill population transfer rate constants), we used the normalized volumes of the cross‐peaks with respect to the diagonal peaks at the same emission frequency and the survival and conditional probability functions. As expected, the downhill population transfer time constant (3.2 ps) was measured to be smaller than the uphill population transfer time constant (3.8 ps). In addition, the vibrational population relaxation dynamics of the two carbonyl modes were observed to be the same within the experimental error and were found to be much slower than vibrational population transfer between two carbonyl modes. 相似文献
107.
The compositional distribution within aggregates of a given size is essential to the functionality of composite aggregates that are usually enlarged by rapid Brownian coagulation. There is no analytical solution for the process of such two-component systems. Monte Carlo method is an effective numerical approach for two-component coagulation. In this paper, the differentially weighted Monte Carlo method is used to investigate two-component Brownian coagulation, respectively, in the continuum regime, the free-molecular regime and the transition regime. It is found that (1) for Brownian coagulation in the continuum regime and in the free-molecular regime, the mono-variate compositional distribution, i.e., the number density distribution function of one component amount (in the form of volume of the component in aggregates) satisfies self-preserving form the same as particle size distribution in mono-component Brownian coagulation; (2) however, for Brownian coagulation in the transition regime the mono-variate compositional distribution cannot reach self-similarity; and (3) the bivariate compositional distribution, i.e., the combined number density distribution function of two component amounts in the three regimes satisfies a semi self-preserving form. Moreover, other new features inherent to aggregative mixing are also demonstrated; e.g., the degree of mixing between components, which is largely controlled by the initial compositional mass fraction, improves as aggregate size increases. 相似文献
108.
We study the diffusive logistic equation with a free boundary in higher space dimensions and heterogeneous environment. Such a model may be used to describe the spreading of a new or invasive species, with the free boundary representing the expanding front. For simplicity, we assume that the environment and the solution are radially symmetric. In the special case of one space dimension and homogeneous environment, this free boundary problem was investigated in Du and Lin (2010) [10]. We prove that the spreading-vanishing dichotomy established in Du and Lin (2010) [10] still holds in the more general and ecologically realistic setting considered here. Moreover, when spreading occurs, we obtain best possible upper and lower bounds for the spreading speed of the expanding front. When the environment is asymptotically homogeneous at infinity, these two bounds coincide. Our results indicate that the asymptotic spreading speed determined by this model does not depend on the spatial dimension. 相似文献
109.
110.