Statement of Work (SOW)-RS43 FTIR DRAFT.pdf

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STATEMENT OF

WORK/PERFORMANCE WORK

STATEMENT

RS43 Systems Evaluation: FTIR Procurement

1. INTRODUCTION

2. BACKGROUND

3. SCOPE

4. APPLICABLE DOCUMENTS

This Statement of Work (SOW) is written to procure a new Fourier-Transform

Infrared Spectrometer (FTIR) for the RS43 Branch.

RS43 is responsible for chemical analysis of explosive materials. FTIR’s are one of the most common instruments used in chemical analysis. Purchase of this instrument will allow Expeditionary Systems Engineering Division (ESED) to perform numerous chemical analysis tests, including, but not limited to, purity, hydroxide reaction conversion estimations, material identification, and off-gas analysis.

With prevalence of FTIR’s in the scientific community, there exist a large variety of different FTIR’s are on the market, with varying degrees of measurement accuracy and operating temperatures to meet the needs of different types of research. To meet the ESED’s specific needs, certain accuracies and ranges of instrument operating conditions will need to be met to properly conduct the experiments performed by

ESED.

1) ASTM E168-16 (Standard Practices for General Techniques of Infrared

Quantitative Analysis)

2) ASTM E1252 - 98(2013)e1 (Standard Practice for General Techniques for

Obtaining Infrared Spectra for Qualitative Analysis)

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5. REQUIREMENTS

Introduction:

In order to fulfill ESED’s needs the following parameters must be met.

System Optics:

1. The spectrometer cover shall be sealed and desiccated and must be equipped with

CaF2 coated KBr sample compartment windows. The desiccant must be accessible without tools and without removal of any main covers of the instrument. There must also be a highly visible passive humidity indicator. The instrument must be equipped with the necessary internal plumbing and external connector for optional purge operation. The system can be equipped with optional, motorized sample compartment purge shutters, with operation under software control.

2. The spectrometer must include a user replaceable helium-neon laser reference source. Replacement of the laser must be done without exposing the optics of the instrument to the environment. The laser must be of a modular design permitting simultaneous replacement of the laser emission head and power supply.

3. The infrared source must have a guaranteed lifetime of 5 years and must be user replaceable. The system must be able to support an optional white light source to be used for near-IR or visible operations, mounted in a similar manner to the infrared source and similarly user-replaceable.

4. The Interferometer must be a dynamically aligned, non-air bearing Michelson design. The scan velocity must provide collection capabilities of up to 60 spectra independently archived, per second, at a spectral resolution of 16 cm-1 or 95 scans per second at 32 cm-1 resolution. The interferometer must be capable of spectral resolution better than 0.09 cm-1 with boxcar apodization. Standard warranty on the interferometer must be 10 years.

5. The interferometer must be capable of supporting an optional Automatic

Beamsplitter Exchanger accessory without modification. This accessory, providing maximum flexibility for multi-range experiments, must have properties as described below. This accessory must be available at the point of sale, or as a field upgrade.

6. The interferometer must permit insertion of a wide range of beamsplitters without requiring replacement. Beamsplitters must be available for the instrument to cover the spectral range from 27,000 to 50 cm-1.

7. The instrument must be capable of at 55,000:1 peak to peak signal to noise, measured at 4 cm-1 resolution by collecting 80 seconds background, 60 seconds sample, in the region 2200-2100 cm-1, with purge. The wavelength precision must be within 0.01 cm-1 with no need for software intervention or calibration.

8. The spectrometer must have a motorized, continuously variable aperture, for optimal peak shape collection of data.

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9. The instrument must include buttons for single press operations for all sampling locations. These buttons must cause the spectrometer to set up the optics for a specific sampling location and select the correct experimental parameters file. If the spectrometer includes the optional Automatic Beamsplitter Exchanger, the button will activate that unit for proper beamsplitter selection. The button associated with the sample compartment must also activate the identification of any installed accessory and enable appropriate setup.

10. The instrument must support up to three detectors, selectable by an optional rotating mirror, for use with the sample compartment; up to one user exchangeable room temperature, one user exchangeable liquid nitrogen cooled, and a permanently installed DLaTGS mid-infrared detector. In addition, the spectrometer must support a fourth detector for FT-Raman experiments and a fifth detector for a dedicated built-in ATR, all internal to the main spectrometer.

11. The accessory sample compartment must have automatic recognition and smart lock-in mechanical design. Optional software-controlled purge shutters may be installed.

12. The spectrometer must support an optional internally mounted diamond attenuated total reflection accessory. This accessory will have the performance characteristics outlined below. This accessory must be available at the point of sale, or as a field upgrade.

13. The spectrometer must support an optional sample compartment FT-Raman accessory with internal positioning stage and video capture capabilities. This accessory will have the performance characteristics outlined below. This accessory must be available at the point of sale, or as a field upgrade.

14. The spectrometer must support optional external or internal NIR modules, GC-IR and sample compartment TGA accessory modules. These accessories will have the performance characteristics outlined below. These accessories must be available at the point of sale, or as a field upgrade.

15. The spectrometer must include a motorized Validation Wheel. The wheel must provide beam attenuation screens for high sensitivity detectors, NG-11 glass for detector linearity test and NIST-traceable 1.5 MIL (38 microns) polystyrene film.

The validation wheel must be serialized and labeled with expiration date information.

16. The system must be able to provide left and right external beams for supporting additional sampling modules or infrared microscopes.

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17. The spectrometer must support optional external beam entry ports for use with external sources. One emission port optical path must support passage through the system aperture for beam attenuation and high-resolution studies, without hindering the ability to use the spectrometer with the internal sources. The other emission port optical paths must support collimated input beams, such as from synchrotron sources.

18. The instrument must support an optional filter wheel for use with standard 25 mm diameter optical filters, such as bandpass, high pass or low pass filters.

19. The instrument must support an automated infrared polarizer. This polarizer must allow software to insert the polarizer into (or remove it from) the IR beam path and to control the rotation.

20. The size of the instrument when simultaneously configured for FT-Raman, far-, mid- and near-IR operation with the automated beamsplitter changer, diamond ATR, validation and filter wheels, purge shutters and polarizer must not exceed (W x D x

H) 63 x 70 x 51 cm (25 x 27 x 20 inches).

Built-in Diamond ATR

The system shall include a Built-in Diamond ATR

1. The built-in diamond ATR (BI-ATR) shall use all reflective optics and a wide range DLaTGS detector such that spectra – with suitable beamsplitters - may be acquired from 4000 to 50 cm-1. This device shall allow the collection of mid- and far-

IR spectra over this range in a purged system without removing the sample compartment windows or requiring purge shutters, thus requiring no purge recovery time when used.

2. The BI-ATR must have a pressure device capable of exerting up to 60 pounds of force onto a sample placed on the diamond crystal.

3. The BI-ATR must be field installable.

4. The BI-ATR shall be provided with a one-touch button for optical configuration and must also be fully under software control such that macros and multi-range experiments can be easily performed. The BI-ATR button must activate the ABX, if installed, to take appropriate action in loading the correct beamsplitter.

In-compartment TGA Accessory:

The system shall include an In-Compartment TGA Accessory and related equipment that will interface with a TA Instruments TGA5500.

1. The In-compartment TGA accessory will consist of a heated transfer line, a double pass, 10-cm gas cell and an exhaust port. Internal optics will provide the optical path required for data collection.

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2. Data import from the TGA will be supplied for TA Instruments Q-Series and

Discovery Series TGA instrumentation, including combined TGA-DSC. This must include the temperature, weight loss and derivative weight loss profiles.

3. The data analysis for TGA data must include an algorithm for single click multicomponent analysis of the entire set of spectra obtained during the TGA-IR run.

This algorithm must supply sufficient intelligence to search for the assigned number of expected components but then to also search for additional, unexpected components.

4. A complete set of software tools will also be provided for manual data analysis. A direct linkage to multi-component searching of single spectra will also be provided.

5. Vapor phase libraries with over 8,500 spectra must be available.

Software:

1. The software must be fully compatible with Microsoft Windows 10.

2.Software must support one-click operation using clearly visible icons to switch to any sample compartment from any other sample compartment and load proper experiment settings to collect data.

3. The software must support stability testing for sample compartments such as built-in ATR, NIR Integrating Sphere and Main Sample compartment to indicate to users when the instrument is ready for collection.

4. Software must support loading of Automatic Beamsplitter Exchanger beamsplitters and identifying them.

5. Software must support Advanced Diagnostics on the instrument.

6. Software must support the hardware one touch (“Touch Point”) setup for each sampling location. The first press will prepare the optics for data collection.

Subsequent button presses will cause the software to collect data with options for post-collection analysis and report preparation.

7. Software must support both Advanced and Basic experiment setup functionality.

The Basic functionality must support measurement time/number of scans, resolution, final format, spectral region (over the full range supported by the available hardware) and indicate current source, beamsplitter and detector. The Advanced experiment setup functionality must support additional parameter settings such as Corrections, Background collection number of scans, Gain selection, Optical Velocity selection and Aperture settings.

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8. Software must support easy selection of experiment files that are filtered specifically for a particular sample compartment. Experiment files that are present on the computer for other sample compartments will not be displayed when not appropriate.

9. Software must support background handling options such as:

A. Before every sample

B. After every sample

C. After a specified amount of time

D. Use stored background

10. Software must support Auto Reporting for Search Results, Quant Results, Find

Peaks and QCheck Results and these results must be stored with the spectrum for review at a later date. Auto Reports must display multiple sets of data and results in one report that can be Previewed, Printed or Added to a Report Notebook.

11. Software must support Preview Data collection and must allow the user to perform a search on the spectrum when previewing and during data collection

12. Automated purge shutters must be supported in manual and automatic modes.

Operation of the shutters will include a timing function to enable stabilization of the environment and stability of the detection optics prior to data collection, with a user-variable time delay setting.

13. An automated polarizer for the IR beam passing into the sample compartment must be supported. This must include movement of the polarizer into and out of the

IR beam and control of the rotational angle of the polarization.

14. Linked spectra, for spectra acquired using one or multiple techniques, must be supported in the software. These linked spectra must be able to be selected as a group, ungrouped and grouped and retain linking information.

15. Software support must be available for FTIR microscopy and for a wide range of thirdparty accessories.

16. Software must be able to support macros for collecting from all sample compartments, controlling instrument options such as the purge shutters and polarizer and displaying auto reports.

17. Software must support validation for all modules when those modules have appropriate, traceable standards available. This must include all appropriate documentation.

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6. GOVERNMENT FURNISHED PROPERTY

6.1 Government Furnished Material

6.2 Government Furnished Equipment

6.3 Government Furnished Information

7. DELIVERABLES

NUMBER NAME

A001 FTIR

A002

A003

A004

8. ACRONYM LIST

ACRONYM DENOTATION

FTIR Fourier-Transform Infrared Spectrometer

ESED Expeditionary Systems Engineering Division

TGA Thermogravimetric Analyzer

IR Infrared

BI-ATR Built-in ATR

TA Instruments TGA5500

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ADDITIONAL INFORMATION

A. PERIOD OF PERFORMANCE / REQUIRED DELIVERY DATES

The FTIR shall be fully operational, calibrated and able to produce research quality results within 60 days of award receipt.