Description of the thermodynamic properties and fluid-phase behavior of aqueous solutions of linear,branched, and cyclic amines

The SAFT-γ Mie group-contribution equation of state is used to represent the fluid-phase behavior of aqueous solutions of a variety of linear, branched, and cyclic amines. New group interactions are developed in order to model the mixtures of interest, including the like and unlike interactions between alkyl primary, secondary, and tertiary amine groups (NH₂, NH, N), cyclic secondary and tertiary amine groups (cNH, cN), and cyclic methine-amine groups (cCHNH, cCHN) with water (H₂O). The group-interaction parameters are estimated from appropriate experimental thermodynamic data for pure amines and selected mixtures. By taking advantage of the group-contribution nature of the method, one can describe the fluid-phase behavior of mixtures of molecules comprising those groups over broad ranges of temperature, pressure, and composition. A number of aqueous solutions of amines are studied including linear, branched aliphatic, and cyclic amines. Liquid–liquid equilibria (LLE) bounded by lower critical solution temperatures (LCSTs) have been reported experimentally and are reproduced here with the SAFT-γ Mie approach. The main feature of the approach is the ability not only to represent accurately the experimental data employed in the parameter estimation, but also to predict the vapor–liquid, liquid–liquid, and vapor–liquid–liquid equilibria, and LCSTs with the same set of parameters. Pure compound and binary phase diagrams of diverse types of amines and their aqueous solutions are assessed in order to demonstrate the main features of the thermodynamic and fluid-phase behavior.     

Computational Analysis of the Solid-State and Solvation Properties of Carbamazepine in Relation to its Polymorphism

The solvent-dependent polymorphism of the active pharmaceutical ingredient (API) carbamazepine is interpreted from calculations of the solid-state and API-solvent intermolecular interactions. These simulations suggested that apolar solute-solute interactions could be disrupted by apolar solvents. In contrast, the polar solute-solute interactions were found to be easily disrupted by polar and protic solvents. This is consistent with experimental observations that the crystallization of the metastable form II is more dominant in apolar solvents. The Mercury program remains the gold standard in terms of usability; however, further expansion into more complex simulation techniques could make this package of even greater use in pharmaceutical manufacturing workflows.     

Impact on the photothermal emission from single wall nanotubes by some alkali halide salts

We demonstrate that alkali-halide salts, particularly potassium bromide, can reduce the photothermal emission (PTE) from single walled carbon nanotubes (SWNT). PTE is a prominent spectral feature in Raman spectroscopy when a near infrared laser is used to analyze a dark colored sample. We subsequently show that trapping salts inside SWNT and coating SWNT with the salt has a more pronounced impact on not only reducing PTE, but also enhancing the intensity of the Raman spectral features. The effect, which we have called nanotube enhanced Raman spectroscopy (NERS), has differences and similarities to the widely studied surface enhanced Raman spectroscopy (SERS).     

Role of Perceived Importance in Intergroup Contact.

Furthering G. W. Allport's (1954) contentions for optimal contact, the authors introduce a new construct: the perceived importance of contact. They propose that perceived importance is the best proximal predictor of contact's reduction of prejudice. If individuals have opportunities for contact at work or in the neighborhood, their chances to have intergroup acquaintances and friends increase. Intergroup contact among acquaintances and friends can be perceived as more or less important, which in turn determines intergroup evaluations. A 1st study shows that the new measure of perceived importance is indeed distinct from established quantity and quality indicators. The results are cross-validated in a 2nd study that also sheds light on the meaning of importance. In 3rd and 4th studies, structural equation analyses and a meta-analysis support the hypotheses. (PsycINFO Database Record (c) 2010 APA, all rights reserved)     

Response to comments on upgrading of middle distillate fractions of a syncrude from Athabasca oil sands

In response to an interpretation made by Moore and Akgerman of data taken from a recent publication, previously unexplainable phenomena are accounted for, based on new experimental results. These relate to a thermodynamic equilibrium reaction involving saturation of aromatic hydrocarbons in synthetic crude middle distillates.     

Matter Wave Solitons at Finite Temperatures

We consider the dynamics of a dark soliton in an elongated harmonically trapped Bose-Einstein condensate. A central question concerns the behavior at finite temperatures, where dissipation arises due to the presence of a thermal cloud. We study this problem using coupled Gross-Pitaevskii and N-body simulations, which include the mean field coupling between the condensate and thermal cloud. We find that the soliton decays relatively quickly even at very low temperatures, with the decay rate increasing with rising temperature.     

Microscale wear of vitrified abrasive materials

The study of bonding hard materials such as aluminium oxide and cubic boron nitride (cBN) and the nature of interfacial cohesion between these materials and glass is very important from the perspective of high precision grinding. Vitrified grinding wheels are typically used to remove large volumes of metal and to produce components with very high tolerances. It is expected that the same grinding wheel be used for both rough and finish machining operations. Therefore, the grinding wheel, and in particular its bonding system, is expected to react differently to a variety of machining operations. In order to maintain the integrity of the grinding wheel, the bonding system that is used to hold abrasive grains in place will react differently to forces that are placed on individual bonding bridges. This paper examines the role of vitrification heat treatment on the development of strength between abrasive grains and bonding bridges, and the nature of fracture and wear in vitrified grinding wheels that are used for precision grinding applications.     

High speed propulsion: Performance advantage of advanced materials

High-speed air breathing propulsion systems have many attractive military and civil applications. The high propulsive efficiency of these systems allows the exploitation of speed, distance, and bigger payloads, or any combination of the three. The severe operating conditions of these systems require particular attention to overall thermal management of the engine/air-frame. Fuel-cooling the engine structure is a viable way of maintaining thermal balance over a range of flight conditions. Air Force applications have focused on using endothermic hydrocarbon fuels to address this issue because of their compatibility with the military operations. Recent ground tests of scramjet engines have demonstrated adequate performance utilizing state-of-the-art technology in materials. This progress has paved the way for an expendable flight test vehicle in the near future. In order to take full advantage of the capabilities of this propulsion system, advances in fuel-cooled structures, high temperature un-cooled materials, and increased heat capacity of hydrocarbon fuels will be needed to enable expendable systems to reach higher Mach numbers. An additional benefit would be realized in future reusable systems.