Ignitable Liquid Classification and Identification Using the Summed-Ion Mass Spectrum

Abstract

The mass spectra calculated by summing the intensities of each nominal mass over all chromatographic times, the summed ion spectra, were calculated for a set of 440 commercially available ignitable liquids that had been analyzed by gas chromatography–mass spectrometry. Each ignitable liquid is generally comprised of a mixture of chemicals, and the mixtures may be very complex in some cases, e.g., petroleum distillates, gasoline, etc. The summed ion spectra were evaluated to determine if they contained sufficient information content to allow their use for rapid and accurate identification of the ignitable liquid in a database or library. The summed ion nominal mass spectra were encoded in one bit per channel at 1% transition intensity and a set of 96,580 unique pairwise comparisons were made between spectra, resulting in an average of approximately 50 differing channels per comparison. A subset of 62 summed ion spectra were further compared by a similarity metric and found by cluster analysis to group closely along the ASTM ignitable liquid classification scheme. Receiver operator characteristic analysis of the use of the similarity index in combination with the summed ion spectra was shown to provide 99% probability of correct liquid identification and 95% probability of correct ASTM classification by primary and sub-class. Interlaboratory tests found 95% probability of correct liquid identification and 85% probability of correct ASTM classification at the primary class level. These results demonstrate the use of the summed ion spectrum as a first step in the rapid identification of an ignitable liquid by database or library searching.     

A numerical analysis of the elastic-plastic peel test

The adhesive fracture energy, G_c, is determined from two types of elastic-plastic peel tests (i.e. the single-arm 90° and T-peel methods) and a linear-elastic fracture-mechanics (LEFM) test method (i.e. the tapered double-cantilever beam, TDCB method). A rubber-toughened epoxy adhesive, with both aluminium-alloy and steel substrates, has been used in the present work to manufacture the bonded joints. The peel tests are then modelled using numerical methods. The overall approach to modelling the elastic-plastic peel tests is to employ a finite-element analysis (FEA) approach and to model the crack advance through the adhesive layer via a node-release technique, based upon attaining a critical plastic strain in the element immediately ahead of the crack tip. It is shown that this ‘critical plastic strain fracture model (CPSFM)’ results in predicted values of the steady-state peel loads which are in excellent agreement with the experimentally-measured values. Also, the resulting values of G_c, as determined using the FEA CPSFM approach, have been found to be in excellent agreement with values from previously-reported analytical and direct-measurement methods. Further, it has been found that the calculated values of G_c are independent of whether a standard LEFM test or an elastic-plastic peel test method is employed. Therefore, it has been demonstrated that the value of the adhesive fracture energy, G_c, is independent of the geometric parameters studied and the value of G_c is indeed a characteristic of the joint, in this case for cohesive fracture through the adhesive layer. Finally, it is noted that the FEA CPSFM approach promises considerable potential for the analysis of peel tests which involve very extensive plastic deformation of the peeling arm and for analysing, and predicting, the performance of more complex adhesively-bonded geometries which involve extensive plastic deformation of the substrates.     

Teaching computer design using virtual prototyping

The rapid increase in complexity and size of digital systems has reduced the effectiveness of old design methodologies based on physical prototyping. Prototyping via simulation must be used to achieve design cost and time-to-market goals when designing large digital systems. This virtual prototyping design methodology often permits the first physical prototype to be a manufacturable product. A two-course sequence has been developed to introduce students to this design paradigm. These courses teach virtual prototyping techniques and allow the students to use these techniques to develop a simple computer. The students simulate their designs, and then they implement their designs in hardware using field programmable hardware. This allows the students to complete an entire design cycle from idea to actual hardware implementation and compare their physical results to their simulated results.     

Software in the new millennium: a virtual roundtable

What will software look like in the future? To answer this question, we conducted a survey of our editorial and industrial advisory boards, as well as a few outsiders. We constructed a set of 13 questions that we thought reflected the original query. We then circulated these questions to our boards, with a request to respond to the questions, or be extend them with additional are questions as appropriate. The answers were far ranging and sometimes surprising.     

Stability of the body-centered cubic gamma phase in the uranium-zirconium-niobium system

A thermodynamic representation of the stability of the binary gamma phases has been developed for the U-Zr, U-Nb and Zr-Nb binary systems. This has permitted the calculation of the miscibility gaps in the ternary system. The three binary gaps merge to form a large three-phase region in the middle of the composition trangle. Because of the large coherency energies, the spinodal decomposition in the U-Nb and Zr-Nb gaps will be drastically modified, but a large region remains in the ternary system where the decomposition products have small coherency energies such that spinodal decomposition is probable. From these results, we have identified the four decomposition processes in Mulberry (U-16.6 at% Nb-5.6 at% Zr) as being discontinuous and spinodal decomposition within the miscibility gap, the diffusionless formation of α and the formation of (α + γ) from the supersaturated gamma phase.     

A Recursive Orthogonal Least Squares Algorithm for Training RBF Networks

A recursive orthogonal least squares (ROLS) algorithm for multi-input, multi-output systems is developed in this paper and is applied to updating the weighting matrix of a radial basis function network. An illustrative example is given, to demonstrate the effectiveness of the algorithm for eliminating the effects of ill-conditioning in the training data, in an application of neural modelling of a multi-variable chemical process. Comparisons with results from using standard least squares algorithms, in batch and recursive form, show that the ROLS algorithm can significantly improve the neural modelling accuracy. The ROLS algorithm can also be applied to a large data set with much lower requirements on computer memory than the batch OLS algorithm.