Code verification for finite volume multiphase scalar equations using the method of manufactured solutions

Code verification answers the question: “Is this code solving the equations correctly?” Validation answers the question: “Is this code solving the correct equations?” Code verification must be performed before attempting validation and is the focus of this paper. Here we present a novel method of applying the method of manufactured solutions (MMS) to finite volume multiphase codes. MMS is a procedure for generating analytic source terms and adding them to the governing equations such that the numerical solution converges to a previously determined analytic (manufactured) solution. This is a powerful method for generating exact benchmark solutions which can test the most general capabilities of a code. We present a series of manufactured solutions (MS) ranging from single-phase to multiphase flows to test all aspects of an example code. The chief obstacle to applying MMS to multiphase flow lies in the discontinuous nature of the material properties at the interface. An extension of the MMS procedure to multiphase flow is presented here using an adaptive marching tetrahedron style algorithm to compute the source terms near the interface. We also present guidelines for the use of the MMS to help locate coding mistakes (i.e. bugs). This is accomplished by the use of progressively simpler MS and material property variations.     

Differential Complexing by Cyclodextrin Twin-cavity Hosts

The twin-cavity cyclodextrin (1) in which the link is a dithiotrehalosyl unit, and the flexibly-linked dimer (2) were shown to distinguish between the heterocyclic guests 3 and 4 (clofazimine drug) in spite of the guests' small structural difference. Both cyclodextrin dimer hosts form 1:1 complexes with methyl orange and with 3, as shown by double reciprocal plots of UV-absorbance change and host concentration. However with 4, both host molecules formed a 2 : 1 (host : guest) complex . Since both dimer cavities are used to create this effect, it is a new type of selectivity for macrocyclic hosts.     

Gallium Lanthanum Sulphide Fibers for Infrared Transmission

Gallium lanthanum sulphide (GLS) glass and fiber have potential for use in both active and passive infrared applications. In this paper the optical, thermal, and other key properties, which are essential for understanding the applications and crucial in the quest for practical fibres, are discussed. Glass preparation by melt-quenchingand subsequent fibre fabrication is described using both rod-in-tube and extruded preforms. Absorptive and scattering losses are explored as they could represent a fundamental limitation to successful device fabrication. Potential passive and active applications are reported and the prospects for a future generation of sulphide fiber-based devices examined.     

Transformation of neutral rhenium compounds during electrospray ionization mass spectrometry

Four neutral rhenium compounds were examined by electrospray ionization mass spectrometry. Acetonitrile solutions of (Ind)Re(CO)₃ (Ind = indenyl) and (Cp)Re(CO)₃ (Cp = cyclopentadienyl) gave rise to [Re(CO)₃(CH₃CN)₃]⁺ ions. This is indicative of a reaction with the solvent, although these compounds do not react with acetonitrile under regular laboratory conditions. In contrast, (Ind)Re(CO)₂(butyne) and (Cp)Re(CO)₂(butyne) did not lose their aromatic hydrocarbon ligand upon ionization; the predominant product ions generated upon electrospray ionization were [(Ind)Re(CO)(CH₃CN)(butyne)]⁺ and [(Cp)Re(CO)(CH₃CN)(butyne)]⁺, respectively.