TP12



Code: TP12 Time Slot/Poster Number: 055 Session: Industrial Applications

In-Situ, Non-Destructive Control Of Food Quality Using Near-Infrared Raman Spectroscopy And Multivariate Analysis
Lars S. Christensen; Kit D. Jernshøj; Martin Hedegaard; Søren Hassing
University of Southern Denmark, SENSE, Odense M, Denmark

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Summary
In recent years there has been an increasing focus from the consumers on food quality i.e. unwanted substances such as bacteria, pesticides and drug residues, food composition and additives. This is also reflected in increasing interest for organic food products. It seems therefore appropriate to develop substance specific, non-destructive and fast measuring techniques that can be used close to the consumer, for monitoring different properties of food products. In the present paper a step is taken towards the development of an in-situ measuring technique for discriminating between different components in commercial, animal flesh products.

Code: TP12 Time Slot/Poster Number: 056 Session: Industrial Applications

A Raman-Based Portable Fuel Analyzer
Stuart Farquharson
Real-Time Analyzers, Inc., Middletown, CT

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Summary
Most fuel used during military operations is obtained locally, and must be characterized to ensure proper vehicle operation. Fuel properties are currently determined using a deployed laboratory, and each sample requires 6 hours to characterize. To overcome this limitation, we developed a portable fuel analyzer that correlates Raman spectra to 7 critical properties. The portable analyzer employs 1064 nm laser excitation to avoid fluorescence interference and a rugged interferometer with 0.1 cm-1 wavenumber accuracy to guarantee accurate correlations. Here we describe the analyzer, the chemometric models, and the successful determination of these fuel properties for over 100 unknown samples.

Code: TP12 Time Slot/Poster Number: 057 Session: Industrial Applications

Development of Nano-Indentation Tester with a Raman Spectroscopy Interface for Mechanical Properties of Micro Scale Materials
Masayuki Fujitsuka
Technical Research Institute, Japan Society for th, Tokyo, Japan

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Summary
Recently, the necessity of the nanoindentation test for evaluation of mechanical properties such as hardness and Young’s modulus in the ultra thin film and the ultra micro area is increases along with the manufacturing and designing of micro devices and the systems. Authors develop the nanoindentation tester with a Raman spectroscopy interface by which the residual stress measurement in the micro area by the Raman spectroscopy.And, we will also report some application using this developed system.

Code: TP12 Time Slot/Poster Number: 058 Session: Industrial Applications

VIBRATIONAL SPECTROSCOPIC STUDIES ON EPICHLOROHYDRIN
Mohan Sriramulu
HAWASSA UNIVERSITY, Hawassa, ETHIOPIA

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Summary
Fourier transform infrared spectrum of epichlorohydrin was recorded in the region of 400-4000 cm-1 and its Raman spectrum was also measured in the wave number range of 100-4000 cm-1. Both spectra were completely analyzed. Probable assignments to observe bands were made with the aid of intensities by assuming Cs symmetry. The simple general valance force field (SGVFF) was employed in normal coordinate analysis and to calculate the potential energy distribution (PED) for each fundamental vibration. The PED contribution corresponding to each of the observed frequencies shows the reliability and the accuracy of the spectral analysis

Code: TP12 Time Slot/Poster Number: 059 Session: Industrial Applications

Spatially Offset Raman Spectroscopy for Chemical Detection in Porous Surfaces
Phillip Wilcox; Jason Guicheteau; Steven Christesen
US Army ECBC, Apg, MD

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Summary
Raman spectroscopy has an excellent ability to detect and identify chemical warfare agents (CWAs) and toxic industrial chemicals (TICs), however this ability is reduced when chemical droplets are absorbed into porous surfaces. Spatially Offset Raman Spectroscopy (SORS) has been shown the ability to detect signatures from chemicals hidden by diffuse surfaces or opaque containers. We examine the applicability of SORS and inverse SORS to see chemicals which have absorbed into porous surfaces such as concrete.

Code: TP12 Time Slot/Poster Number: 060 Session: Industrial Applications

Monitoring Solid Oxide Fuel Cell Processes Using In-Situ Raman Spectroscopy
Robert Maher1; Edward Brightman2; Carolin Heck2; Gregory Offer2; Nigel Brandon2; Lesley Cohen1
1The Physics Department, Imperial College London, London, United Kingdom; 2Department of Earth Science and Engineering, Imper, London, United Kingdom

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Summary
The solid oxide fuel cell (SOFC) is a high temperature fuel cell variant capable of operating efficiently on hydrocarbon fuels. As a result SOFCs represent a possible technological bridge between today’s hydrocarbon dominated economy and a future hydrogen economy. However, several issues must be address before SOFCs become economically viable. In this paper we demonstrate real time, combined in-situ Raman and electrochemical characterisation of important SOFC processes at high spatial and temporal resolution under operational conditions.

Code: TP12 Time Slot/Poster Number: 061 Session: Industrial Applications

Morphology, Chemistry And Surface Potential Of Organic Semiconducting Layers
Beynor Antonio Paez-Sierra1, 2
1QUBITON Laboratories, Linz, Austria; 2NANOIDENT Technologies AG, Linz, Austria

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Summary
Several molecular-based devices require chemical and physical homogeneity of their interlayers. Therefore, previous to evaporation or pattern the electrical contacts, it is of great interest to control the quality of the films. In this report investigations with the complementary imaging techniques confocal scanning Raman spectroscopy (CSRS) and electric force microscopy (EFM) are presented. The added contrast to the CSRS maps help to identify chemical identity of the film, while EFM measurements provide direct information on the electrical properties or charge states of the polymer film upon different voltages.

Code: TP12 Time Slot/Poster Number: 062 Session: Industrial Applications

Geometries, electronic structures, and spectral properties of Some metal free Phthalonitrile derivatives for enhancement of the Dye Sensitized Solar Cells
P.M. Anbarasan
Periyar University, Salem, Tamilnadu , India

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Summary
The geometries, electronic structures, polarizabilities, and hyperpolarizabilities of organic dye sensitizers 3,4-Pyridinedicarbonitrile, 3-Aminophthalonitrile, 4-Aminophthalonitrile and 4-Methylphthalonitrile were studied based on density functional theory (DFT) using the hybrid functional B3LYP. Ultraviolet-visible (UV-Vis) spectra were investigated by time dependent DFT (TDDFT). The absorption bands are assigned to π→π* transitions. The interfacial electron transfer between semiconductor TiO2 electrode and dye sensitizers is due to an electron injection process from excited dyes to the semiconductor’s conduction band. The roles of amide and methyl groups of phthalonitrile were analyzed in a comparative study of these dyes for the improvement of Dye Sensitized Solar Cells.

Code: TP12 Time Slot/Poster Number: 063 Session: Industrial Applications

Raman Scattering from Industrially Processed Plastic Pipes
Robert Withnall; Amir Khamsehnezhad; Ali Ahmadnia; Peter Allan; Karnik Tarverdi; Jack Silver
Brunel University, Uxbridge, United Kingdom

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Summary
Raman spectra have been obtained from different industrially processed plastic pipes. It is evident from the Raman spectra that the pipes in this study have been processed from different materials which include HDPE, polypropylene and PVC-u. In addition, a strong Raman band at 1086 cm-1 is present in the spectra of the PVC-u pipes and this can be assigned to calcium carbonate filler which has been added to increase the rigidity of the pipes.

Code: TP12 Time Slot/Poster Number: 064 Session: Industrial Applications

Investigation on Natural and Synthetic Astaxanthin and its Isomers by a Combined Raman/IR Microprobe with Samespot Technology
Subramanian Balaji1; Nadéjda Tchoukanova2; Yahia Djaoued1
1Université de Moncton, Shippagan, Canada; 2Institut de Recherche sur les Zones Côtières Inc.,, Shippagan, NB, Canada

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Summary
Astaxanthin (ASTX) is a ketocarotenoid pigment widely found naturally in some type of microorganisms such as algae, as well as in marine habitants such as shrimps, lobsters etc. Our objective is to investigate the natural ASTX obtained during the processing of shrimps. We developed a standard protocol to identify ASTX and its isomers by confocal micro-Raman microscope combined with a FTIR-micro analysis system using the same spot technique. We have shown that it is possible to obtain both micro-IR and micro-Raman spectra of the synthetic and natural ASTX with a single instrument.

Code: TP12 Time Slot/Poster Number: 065 Session: Industrial Applications

Raman Spectroscopy in the Hydrometallurgical and Materials Engineering World
Mario Gomez1; Levente Becze1; Kee Eun Lee1; Cecile Charbonneau1; George Demopoulos1; Hassane Assaaoudi2; Jeffrey Cutler3; Samir Elouatik4
1McGill University, Montreal, Canada; 2Department of Chemistry, McGill University, Montreal, Canada; 3Canadian Light Source, Saskatoon, Saskatchewan; 4Department of Chemistry, University of Montreal, Montreal, Canada

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Summary
Raman spectroscopy and its applications have been mainly applied to the areas of chemistry, physics and materials science. In this talk we will present how Raman spectroscopy has been employed to elucidate new ideas, information (or confirm others), on previous and current research that was thought to be well understood over the last decades. The first part of the presentation will pertain specifically to research in recovery of precious metals; arsenic solid waste produced from these extraction processes and applications in solar cell technology using commercial and in-house synthetic materials.

Code: TP12 Time Slot/Poster Number: 066 Session: Industrial Applications

Raman Spectroscopic Studies of Temperature Dependent Conformational Changes in Fatty Acids
Siva Umapathy2; Venkat Krishnan1
1ITC Research & Development Center, Bangalore, India; 2Indian Institute of Science, Bangalore, INDIA

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Summary
Vibrational spectroscopy is a powerful tool for understanding the temperature dependent conformational change in structure of salts of fatty acids. In this paper, the Raman spectroscopic method was applied to salts of fatty acid consisting a long hydrocarbon chain with a carboxylic acid group at one end which has ionic bonded metal ion (sodium or calcium). The changes in the Raman spectra at varying temperatures can be interpreted in terms of structural changes, particularly of the conformations of the hydrocarbon chains.

Code: TP12 Time Slot/Poster Number: 067 Session: Industrial Applications

Tensorial analysis of strain field around indentation on silicon by using Raman spectroscopy
Makoto Yamaguchi
Japan society for the propotion of machine industr, Tokyo, Japan

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Summary
Micro-Raman spectroscopy was used for the analysis of the indentation strain field around indentation on silicon. We focused our attention on tensorial analysis. The technique is based on separating the contributions to the Raman spectrum from marginal and paraxial ray of the collection cone of the objective lens.

Code: TP12 Time Slot/Poster Number: 068 Session: Industrial Applications

Spectral Collection of Polyethylene Pellets at nearly Cryogenic Temperature to Improve Selectivity of Raman Measurement
Saetbyeol Kim; Jinyoung Hwang; Hoeil Chung; Sanguk Lee
Hanyang University, Seoul , South Korea

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Summary
Normally, Raman spectral collection of polymer samples is routinely performed at room temperature for convenience. However, the feasibility of improving spectral selectivity and the resulting quantitative accuracy, when samples are measured at nearly cryogenic temperature, has not been investigated. For this purpose, we attempted to measure the density of polyethylene (PE) pellets at cryogenic temperatures and the resulting accuracies were compared with that from room temperature measurement. When the temperature of sample was at cryogenic temperature, the resulting band widths were narrower compared to those at room temperature, thereby improving the accuracy of density measurement.

Code: TP12 Time Slot/Poster Number: 069 Session: Industrial Applications

Prediction of Geographical Origin of Virgin Olive Oil RDOs by Chemometric Treatment of Raman Spectra
Yasmina Dellaa; Rabia Korifi; Yvelines Le Dréau; Jacques Artaud; Nathalie Dupuy
laboratoire systèmes chimiques complexes, Marseille, France

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Summary
The determination of origin and olive oil authenticity has thus been the object of numerous studies using a variety of spectral techniques (1H nuclear magnetic resonance (NMR), 13C NMR or fluorescence ultraviolet (UV)). The main advantages of Raman spectroscopy over other techniques are that no complex sample preparation is required and spectral acquisition is relatively fast. The aim of this study was to develop by Raman spectroscopy combined with chemometric treatment a direct and rapid test method to discriminate them according to their French Registered Determination of Origin's (RDO).

Code: TP12 Time Slot/Poster Number: 070 Session: Industrial Applications

Quantum-Chemical Simulation and Solution of the Inverse Spectroscopic Problem for Phosphorus Compounds With Double Bonds
Firuz Sadriddinzoda; Shukrillo Ismoilov
Samarkand State University, Samarkand, Uzbekistan

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Summary
In this work we carried out experimental and theoretical studies of compounds with P=O bond. Spectra of Raman scattering were studied with the help of Coderg Raman-spectrophotometer and DFS-24 spectrophotometer. IR absorption spectra were studied with the help of UR-20 and Specord-80 spectrophotometers. Calculations of vibrational spectra were performed with the help of COSPECO quantum-chemical software.

Code: TP12 Time Slot/Poster Number: 071 Session: Industrial Applications

Vibrational Spectra of Phosphorus Compounds With Multiple Bonds
Obid Pardayev; Shukrillo Ismoilov
Samarkand State University, Samarkand, Uzbekistan

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Summary
Primary aim of this work was to study peculiarities of structure and spectral-structural characteristics of simplest model compositions of 4-coordinated phosphorus with formally double bonds P=X (X=O, N, C), as well as of new compositions of 2-coordinated phosphorus with analogous structural fragment with “true” double bond X=P, such as R3P=X and RP=X, where R=H, CH3, Hal, etc. with the help of IR absorption and Raman scattering spectra.

Code: TP12 Time Slot/Poster Number: 072 Session: Industrial Applications

Characterization of Sparse Samples with Morphologically Directed Raman Microscopy
Linda Kidder1; E. Neil Lewis1; Kenneth Haber1; Kevin Davis2; Ian Lewis2
1Malvern Instruments, Columbia, MD; 2Kaiser Optical Systems, Inc., Ann Arbor, MI

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Summary
This presentation describes a unique approach to the characterization of chemically heterogeneous sparse samples. Utilizing automated visible microscopy, the locations and morphological characteristics of dispersed particles are obtained. The subsequent analysis of the sample using a Raman microprobe is guided by the relatively rapidly obtained visible microscopy data. As the spatial locations of particles are catalogued, they can be individually targeted, and spectra collected only from particles, not the empty space between them. It is also possible to further refine the selection of Raman sampled particles based on relevant morphological criteria.