Longitudinal dispersion of solutes in porous media solely by advection

The purpose of this work is to predict the transport of non-sorbing solutes through water flow in the subsurface. We derive what we consider to be the first reliable calculations of the entire distribution of arrival times, W(t), for non-sorbing solutes in advective flow in strongly disordered porous media. Solutes treated can be contaminant plumes from any source or radioactive tracers, both experimentally and naturally generated. Our approach is microscopic and based on effects of disorder. It generates longitudinal dispersion (in the direction of flow) in the absence of diffusion. Effects on dispersion from a single capillary tube velocity distribution, known to produce long-tailed arrival time distributions, are also neglected. On the other hand, our calculations are based on effects generated from real porous media, such as wide pore-size distributions and complex connectivity. In particular, the calculation of the distribution of arrival times is based on a distribution of conserved fluxes and the known tortuosity of the associated geometrical paths. The results are found to be predictive when compared with simulations of two-dimensional flow on percolation structures, and appear to have relevance for experiments as well.     

Direct Form I Realization of Active Photonic Filters

Abstract

An integrated photonic architecture is introduced and used to realize an optical filter with direct form I realization. The architecture offers gain from semiconductor optical amplifiers, and this gain results in an active optical filter whose filter response depends on the individual gains. The presence of gain provides advantages in filter performance, and tunable and adaptive functionality. The optical filter is modeled as a discrete time system and the z-transform is used in its analysis and design. A low-pass filter design example is presented and the filter coefficients are derived in terms of gains and coupler splitting ratios. The region of stable operations is derived by applying the Schur-Cohn stability test.     

Benchmark calculations with correlated molecular wavefunctions. XIII. Potential energy curves for He2, Ne2 and Ar2 using correlation consistent basis sets through augmented sextuple zeta

The potential energy curves of the rare gas dimers He2, Ne2, and Ar2 have been computed using correlation consistent basis sets ranging from singly augmented aug-cc-pVDZ sets through triply augmented t-aug-cc-pV6Z sets, with the augmented sextuple basis sets being reported herein. Several methods for including electron correlation were investigated, namely Møller—Plesset perturbation theory (MP2, MP3 and MP4) and coupled cluster theory [CCSD and CCSD(T)]. For He2 CCSD(T)/d-aug-cc-pV6Z calculations yield a well depth of 7.35 cm-1 (10.58 K), with an estimated complete basis set (CBS) limit of 7.40 cm-1 (10.65 K). The latter is smaller than the 'exact' well depth (Aziz, R. A., Janzen, A. R., and Moldover, M. R., 1995, Phys. Rev. Lett., 74, 1586) by about 0.2 cm-1 (0.35 K). The Ne2 well depth, computed with the CCSD(T)/d-aug-cc-pV6Z method, is 28.31 cm-1 and the estimated CBS limit is 28.4 cm-1, approximately 1 cm-1 smaller than the empirical potential of Aziz, R. A., and Slaman, M., J., 1989, Chem. Phys., 130, 187. Inclusion of core and core—valence correlation effects has a negligible effect on the Ne2 well depth, decreasing it by only 0.04 cm-1. For Ar2, CCSD(T)/d-aug-cc-pV6Z calculations yield a well depth of 96.2 cm-1. The corresponding HFDID potential of Aziz, R. A., 1993, J. chem. Phys., 99, 4518 predicts of De of 99.7 cm-1. Inclusion of core and core-valence effects in Ar2 increases the well depth and decreases the discrepancy by approximately 1 cm-1.     

Pyrrole β-amides: Synthesis and characterization of a dipyrrinone carboxylic acid and an N-Confused fluorescent dipyrrinone

Pyrrole β-amides are useful building blocks for the preparation of novel molecular architectures that can be used in supramolecular chemistry and sensor development. Under basic conditions, pyrrole β-amides with an α-aldehyde produce different condensation products when reacted with pyrrolinones depending on the amide substitution. Secondary amides form the expected dipyrrinones, but unexpectedly undergo a subsequent trans-amidation with the pyrrolinone nitrogen to produce an unsymmetrical imide (an N-confused fluorescent dipyrrinone). Under the same conditions, tertiary amides produce the expected dipyrrinone carboxylic acids, which have been shown to have strong self-association properties as determined by vapor pressure osmometry measurements, NMR studies, and X-ray crystal structure determination. Furthermore, an N-confused fluorescent dipyrrinone was produced from the same trans-amidation reaction during attempts to decarboxylate a dipyrrinone amide with a 9-carboxylic moiety.     

Stability analysis of fixed points via chaos control

This paper reviews recent advances in the application of chaos control techniques to the stability analysis of two-dimensional dynamical systems. We demonstrate how the system's response to one or multiple feedback controllers can be utilized to calculate the characteristic multipliers associated with an unstable periodic orbit. The experimental results, obtained for a single and two coupled diode resonators, agree well with the presented theory. (c) 1997 American Institute of Physics.     

Image reconstruction from pairs of Fourier-transform magnitude

The retrieval of phase information from only the magnitude of the Fourier transform of a signal remains an important problem for many applications. We present an algorithm for phase retrieval when there exist two related sets of Fourier-transform magnitude data. The data are assumed to come from a single object observed in two different polarizations through a distorting medium, so the phase component of the Fourier transform of the object is corrupted. Phase retrieval is accomplished by minimization of a suitable criterion function, which can take three different forms.     

Polymerizable derivatives of long-chain fatty acids. IV. Vinyl esters

Contrary to some published reports, the vinyl esters of saturated fatty acids polymerize readily and rapidly. Vinyl oleate, when present in excess of 5%, and oxygen exert marked retarding effects. Techniques are described for the free-radical-initiated polymerization of the vinyl esters of caprylic, capric, lauric, myristic, palmitic, and stearic acids in bulk, dispersion, solution, and emulsion. Some data are given for polymerization in the presence of chain-transfer agents, such as carbon tetrachloride, dodecylmercaptan, and ethylbenzene. Conditions are reported for obtaining degrees of polymerization from about 2 (when chain-transfer agents are employed) to 10,000 (weight average). The weight average degree of polymerization increases markedly as the conversion increases, particularly above 80%. Even up to extremely high conversions, soluble polymers are obtained in most cases. Solubility characteristics, transition point data, molecular weights (osmometric and light-scattering), and isolation and purification techniques are also reported.     

Self‐Assembly of Complex DNA Tessellations by Using Low‐Symmetry Multi‐arm DNA Tiles

Modular DNA tile‐based self‐assembly is a versatile way to engineer basic tessellation patterns on the nanometer scale, but it remains challenging to achieve high levels of structural complexity. We introduce a set of general design principles to create intricate DNA tessellations by employing multi‐arm DNA motifs with low symmetry. We achieved two novel Archimedean tiling patterns, (4.8.8) and (3.6.3.6), and one pattern with higher‐order structures beyond the complexity observed in Archimedean tiling. Our success in assembling complicated DNA tessellations demonstrates the broad design space of DNA structural motifs, enriching the toolbox of DNA tile‐based self‐assembly and expanding the complexity boundaries of DNA tile‐based tessellation.     

OPTIMAL FISH HARVESTING FOR A POPULATION MODELED BY A NONLINEAR PARABOLIC PARTIAL DIFFERENTIAL EQUATION

As the human population continues to grow, there is a need for better management of our natural resources in order for our planet to be able to produce enough to sustain us. One important resource we must consider is marine fish populations. We use the tool of optimal control to investigate harvesting strategies for maximizing yield of a fish population in a heterogeneous, finite domain. We determine whether these solutions include no‐take marine reserves as part of the optimal solution. The fishery stock is modeled using a nonlinear, parabolic partial differential equation with logistic growth, movement by diffusion and advection, and with Robin boundary conditions. The objective for the problem is to find the harvest rate that maximizes the discounted yield. Optimal harvesting strategies are found numerically.     

Improved synthesis of O-linked, and first synthesis of S- linked, carbohydrate functionalised N-carboxyanhydrides (glycoNCAs)

An improved method for the synthesis of glycosylated N-carboxyanhydrides, which are monomers for glycopeptide synthesis, is presented.