On the tuning of predictive controllers: Impact of disturbances,constraints, and feedback structure

The impact of problem formulation modifications on predictive controller tuning is investigated. First, the proposed tuning method is shown to adapt to disturbance characteristic changes and thus, takes full economic advantage of the scenario. The second topic concerns point‐wise‐in‐time constraints and the impact of constraint infeasibility. Specifically, we shift the tuning question from selection of nonintuitive weighting matrix parameters to that of a few key parameters and results in a rather intuitive trade‐off between expected profit and expected constraint violations. Finally, we show that simple modifications will allow for the consideration of various feedback structures, including computational delay and partial state information. The overall conclusions of the work are that the results of the automated algorithm will help build an intuitive understating of the dynamics of the process and ultimately result in a higher level trade‐off between profit and constraint observance. © 2014 American Institute of Chemical Engineers AIChE J, 60: 3473–3489, 2014     

An Application of Computer‐Aided Molecular Design (CAMD) Using the Signature Molecular Descriptor–Part 2. Evaluating Newly Identified Surface Tension‐Reducing Substances for Potential Use as Shrinkage‐Reducing Admixtures

In this study, the use of computer‐aided molecular design (CAMD) is validated as a tool for enabling the discovery of new shrinkage‐reducing compounds for possible use in portland cement composites and is framed as one of many multiscale modeling tools in a broad hierarchy of possibilities. Twelve additives were tested for their ability to inhibit shrinkage in Type I ordinary portland cement under both autogenous and drying conditions. The 12 additives included two commercial shrinkage‐reducing admixtures (SRAs), two active ingredients of a commercial admixture [one of which was used to establish the quantitative structure–property relationships (QSPR)], two additional classified as potential SRA compounds based on the patent literature, four newly identified compounds predicted by using CAMD and an inverse quantitative structure–property relationship (I‐QSPR), and two other compounds use to establish the QSPR relationship. The newly identified I‐QSPR compounds were targeted for their ability to reduce the surface tension of water, a primary consideration for shrinkage‐reducing activity. Results for both drying shrinkage and autogenous shrinkage indicate that the designed compounds perform similar to commercial admixtures, yet have different chemical functionalities. Hydration data and set measurements were also considered since selection of new SRAs is a multiparameter problem with many constraints. Thus, these newly identified shrinkage‐reducing compounds can potentially provide additional options for use in portland cement concrete applications.     

Investigation of Scents on Cheeks and Foreheads of Large Felines in Connection to the Facial Marking Behavior

We investigated head- and cheek-rubbing behavior in four species of large felines, lions (Leo panther), leopards (Panthera pardus), tigers (Panthera tigris), and cougars (Puma concolor), in captivity. Preliminary behavioral observations found that lions and tigers, but not leopards and cougars, showed behavioral responses to cardboard rubbing samples from head and cheek areas from conspecific felines, compared to the blank cardboard controls. In this context, surface samples on the facial areas of each species were collected to analyze volatile organic compounds that could be involved in the facial marking of felines. Previously developed stir bar surface sampling methodology was used. From all cheek and forehead samples, 100 volatile organic compounds were identified or tentatively identified. Among these, 41 have been previously reported to be present in feline urine and marking secretions. Several new compounds were identified on facial surfaces. Some of the compounds showed substantial quantitative differences among the species. One compound, that has not been reported previously in mammals, 3-acetamidofuran, was found in all investigated species. It was synthesized and tested for behavioral responses. No responses were elicited in a preliminary test. Future research will test other potential signaling compounds and their mixtures for ability to elicit behavioral responses.     

Experimental study of diffusivity of hexane in bitumen-saturated porous media under high temperature/pressure conditions

Solvent mass transfer plays a key role in a thermal gravity drainage process involving solvent. The diffusion coefficients of solvent in such a process are not well studied. This article presents the effective diffusion coefficients of solvent in bitumen-saturated sands under high temperature/pressure conditions measured using a CT scanning technique. Experimental results show that the effective diffusion coefficient of n-hexane in bitumen-saturated sands varied with the solvent concentration or with the viscosity of solvent–bitumen mixture (i.e., D_e ∝ c^0.4 or D_e ∝ μ_m^−0.46). The solvent concentration weighted diffusion coefficient of n-hexane in the bitumen under the condition 160–170°C/1,900 kPa had an order of magnitude of about 10⁻⁵ cm²/s for solvent volume concentration less than 0.2. The penetration distance of n-hexane in bitumen-saturated sands depended on the nonlinearity of diffusion and had a value of −2 cm after 1-day diffusion. The stronger the nonlinearity of diffusion, the shorter the penetration distance.     

Self-Assembly of Proteinaceous Shells around Positively Charged Gold Nanomaterials Enhances Colloidal Stability in High-Ionic-Strength Buffers

The enzyme lumazine synthase (LS) has been engineered to self-assemble into hollow-shell structures that encapsulate unnatural cargo proteins through complementary electrostatic interactions. Herein, we show that a negatively supercharged LS variant can also form organic–inorganic hybrids with gold nanomaterials. Simple mixing of LS pentamers with positively charged gold nanocrystals in aqueous buffer spontaneously affords protein-shelled gold cores. The procedure works well with differently sized and shaped gold nanocrystals, and the resulting shelled complexes exhibit dramatically enhanced colloidal stability over a wide range of pH (4.0–10.0) and at high ionic strength (up to 1 m NaCl). They are even stable over days upon dilution in buffer. Self-assembly of engineered LS shells in this way offers an easy and attractive alternative to commonly used ligand-exchange methods for stabilizing inorganic nanomaterials.     

Interspecific Comparison of Constitutive Ash Phloem Phenolic Chemistry Reveals Compounds Unique to Manchurian Ash, a Species Resistant to Emerald Ash Borer

The emerald ash borer (Agrilus planipennis, EAB) is an invasive wood-borer indigenous to Asia and is responsible for widespread ash (Fraxinus spp.) mortality in the U.S. and Canada. Resistance and susceptibility to EAB varies among Fraxinus spp., which is a result of their co-evolutionary history with the pest. We characterized constitutive phenolic profiles and lignin levels in the phloem of green, white, black, blue, European, and Manchurian ash. Phloem was sampled twice during the growing season, coinciding with phenology of early and late instar EAB. We identified 66 metabolites that displayed a pattern of variation, which corresponded strongly with phylogeny. Previously identified lignans and lignan derivatives were confirmed to be unique to Manchurian ash, and may contribute to its high level of resistance to EAB. Other compounds that had been considered unique to Manchurian ash, including hydroxycoumarins and the phenylethanoids calceolarioside A and B, were detected in closely related, but susceptible species, and thus are unlikely to contribute to EAB resistance of Manchurian ash. The distinct phenolic profile of blue ash may contribute to its relatively high resistance to EAB.     

A cathode support structure for use in a magnetron oscillator experiment

A low temperature co-fired ceramic (LTCC) material system has been used to develop a protype field emission cathode structure for use in an experimental magnetron oscillator. The structure is designed for used with 30 gated field emission array (GFEA) die electrically connected through silver metal traces and electrical vias. To approximate a cylinder, the cathode structure (48 mm long and 13.7 mm in diameter) is comprised of 10 faceted plates which cover the GFEA dies. Slits in the facet plates allow electron injection. The GFEA die (3 mm × 8 mm) are placed in axial columns of 3 and spaced azimuthally around a cylindrical support structure in a staggered configuration resulting in 10 azimuthal locations. LTCC manufacturing techniques were developed in order to fabricate the newly designed cathode with seven layers wrapped to form the cylinder with electrical traces and vias. Two different cathode wrapping techniques and two different via filling techniques were studied and compared. Two different facet plate manufacturing techniques were studied. Finally, four different support stand configurations for firing the cylindrical structure were also compared with a square post stand having the best circularity and linearity measurements of the fired structure.     

The crystal state binding of dithionite to deoxy-hemoglobin

The crystal state binding of sodium ditbionite to deoxyhemoglobinis reported. Dithionite has been used extensively to deoxygenatehemoglobin and myoglobin and there has been considerable interestamong users of dithionite about its effect on protein structureand binding site(s). We have determined that dithionite bindsto deoxygenated hemoglobin crystals at the interface of twomolecules in the crystal lattice. Specific residues involvedin hydrogen bonds or salt interactions with dithionite includeHisll6 and Hisll7 of the ft subunit and Lysl6 of the ß₂subunit of the adjacent hemoglobin molecule. No binding wasobserved at the symmetry related Hisll6 and 117 ß1 residues.We have shown that dithionite does not affect the native hemoglobinstructure or the binding of several allosteric inhibitors tohemoglobin and can be used to mount T state crystals in theair     

Shear rheological properties of acrylic copolymers and terpolymers suitable for potentially melt processable carbon fiber precursors

In an effort to generate melt processable polyacrylonitrile (PAN) precursor fibers suitable for conversion to carbon fibers, an acrylonitrile/methyl acrylate (AN/MA) copolymer and two acrylonitrile/methyl acrylate/acryloyl benzophenone (AN/MA/ABP) terpolymers were synthesized at molar ratios of 85/15 and 85/14/1, respectively. The termonomer (ABP) was incorporated to accelerate crosslinking via UV irradiation, which serves to prevent relaxation of orientation and flow as the temperature of the fiber is raised during thermooxidative stabilization. Two molecular weights of the terpolymer and one molecular weight of the copolymer were studied to determine the effect of the termonomer, and the effect of molecular weight (MW), on the steady shear viscosity (η) and magnitude of the complex viscosity (η*). A higher rate of increase of η as a function of time was observed for the high MW terpolymer relative to that of the copolymer over the temperature range used. Using a temperature sweep and monitoring levels of η*, a minimum was observed at lower temperatures for both terpolymers. These results suggest that copolymerization with ABP significantly increased the thermally induced kinetics of crosslinking. Comparison of the η and η* data for the low and high MW terpolymers suggested that molecular weight also significantly reduced the melt stability (increased the kinetics of crosslinking). A chemorhelogical correlation was then used to quantify the effects of the termonomer and of molecular weight on the kinetics of crosslinking of the AN terpolymers. © 2004 Wiley Periodicals, Inc. J Appl Polym Sci 93: 2856–2865, 2004     

Heat/mass transfer from a neutrally buoyant sphere by mixed natural and forced convection in a simple shear flow

Building on the work of Yang et al. in 2011, the finite difference method and the Boussinesq approximation were applied to solve the time‐dependent Navier‐Stokes, convection diffusion and continuity equations in spherical coordinates. An idealized condition, the mass transfer from a neutrally buoyant sphere in a horizontal simple shear flow with natural convection was numerically simulated for the first time in this work. In the hybrid transfer case, the outwardly spiraling streamlines enhanced the transfer process, but the counter‐gravity spiraling streamlines near the sphere hindered the natural convection and the spatial dilution action weakened the natural convection transfer process. These competing effects led to nonmonotonic behavior of the Nusselt number with Reynolds number. Results from these previously undocumented cases were summarized into correlations for predicting Nusselt numbers at finite Reynolds numbers for various Grashof and Prandtl numbers. © 2018 American Institute of Chemical Engineers AIChE J, 64: 2816–2827, 2018