19-02380_SOW.pdf

STATEMENT OF WORK

Acquisition of a Benchtop NMR System to Support Vapor-Liquid, Vapor-Solid, and

Liquid-Liquid Equilibria Measurements

LAB REQUESTING SERVICE: Material Measurement Laboratory, Applied Chemicals and

Materials Division

I. BACKGROUND INFORMATION

The Applied Chemicals and Materials Division (ACDM) needs to purchase a permanent magnet

(“benchtop”) NMR spectrometer. The ACDM already owns a high-field (14 Tesla) superconducting-magnet NMR spectrometer so this new instrument will supplement existing

NMR capabilities. One of the advantages of benchtop NMR spectrometers is that they are small and portable. This allows the instrument to be moved from lab to lab or to be operated in a fume hood, which can be a big advantage when the samples are toxic. Another advantage of these benchtop instruments is that the permanent magnets do not require cryogenic liquids (liquid nitrogen and liquid helium) for operation, which makes them easy and inexpensive to maintain.

Finally, these instruments are relatively robust and easy to operate, which makes them usable by non-experts (such as undergraduate researchers).

On the other hand, benchtop NMR spectrometers have limited experimental capabilities compared to high-field NMR spectrometers. And many benchtop NMR systems have been designed specifically for use in industrial process control or in undergraduate chemistry labs. Such instruments may lack the capabilities for rigorous scientific research. For example, “time-domain”

NMR spectrometers are not suitable for ACDM’s needs.

The ACDM has multiple measurement objectives for the new benchtop NMR, but most of the near-term measurement plans involve quantitative measurement of mixture concentrations at thermodynamic equilibrium. Typical samples will be refrigerants mixtures (hydrofluorocarbons, hydrofluoroethers, hydrofluoroolefins, hydrocarbons, and carbon dioxide) or fuel mixtures

(hydrocarbons, FAMEs, alcohols, etc.). For this kind of work, a stable, well-known sample temperature is critically important. Most benchtop NMRs deliver this by default because of the way in which the permanent magnet is thermostatted. However, different manufacturers have chosen different temperature setpoints. For thermodynamic measurements, a sample temperature near 25 C is desirable. Another important aspect of these measurements is that we must be able to integrate signals as accurately as possible.

Consequently, it is critically important to have excellent resolution (small linewidths) and good peak shapes (symmetric, Lorentzian peaks), which can only be achieved through a homogeneous magnetic field. Consequently, spectrometers with the best “shimming” (i.e., magnetic field optimization) capabilities are highly desirable. It is also necessary to have user control over certain parameters in the NMR experiment, such as pulse width (or flip angle), acquisition time, and recycle delay (or interpulse delay). It is also highly desirable that the software has an integrated module for quantitative NMR that will allow for the use of either an internal or external standard.

We also plan to run a high volume of samples on this instrument, so an autosampler feature (i.e., robotic sample handling) is invaluable for our planned measurements. Control of the autosampler device must be integrated into the spectrometer control software so that multiple NMR experiments can be run without user intervention. In many cases, samples will be measured in both the existing high-field NMR spectrometer and the new benchtop spectrometer; therefore, the benchtop instrument must accept industry-standard, 5-mm, glass NMR sample tubes. Finally, the need for portability and operation within a fume hood puts strict limitations on the size and weight of the benchtop NMR, and it means that the performance characteristics (such as linewidth) must be obtainable without sample spinning (which requires a source of compressed air).

II. SCOPE OF WORK

The capabilities of “benchtop” NMR spectrometers are changing rapidly and vary widely between suppliers. For that reason, it is somewhat difficult to compare the technical specifications of one instrument to another. For that reason, we have prepared a list of desirable technical specifications in order of priority (see the attached document titled “Technical specifications list_2019-05-22”).

If no Contractor can meet all the specifications in the list, a spectrometer that meets the high priority specifications and most of the lower priorities would be acceptable.

III. PERIOD OF PERFORMANCE

The NMR should be delivered and operational within four (4) months from the award of this requirement. The one-year parts and labor warranty will last one year from the date the NMR is operational.

IV. PLACE OF PERFORMANCE

The performance will be on-site at NIST, 325 Broadway, Boulder, CO campus.

V. DELIVERABLES

Description Quantity Due Date

Permanent magnet (“benchtop”) NMR spectrometer as described in Section II

(and the attached list of technical specifications).

One (1) No later than four (4) months after award of this requirement

Operational software for installation on a

NIST-supplied PC or laptop

One (1) No later than four (4) months after award of this requirement

Remote installation support for up to 30 days from the date of delivery.

One (1) No later than four (4) months after award of this requirement

One-year parts and labor warranty, starting at the date of delivery

One (1) Will start the day the instrument is remotely installed and operational, and last for one year.

Standards for Acceptance of Deliverables: The Technical Point of Contact (TPOC) will provide comments on each deliverable within one (1) month from receipt of a given deliverable. The contractor shall make any needed changes to the deliverables within one (1) month from receipt of electronic or written comments from the TPOC.

VI. PERFORMANCE REQUIREMENT SUMMARY

Desired Output

Performance

Standard Monitoring Method

Permanent magnet (“benchtop”)

NMR spectrometer that best meets the performance specifications in section II of this SOW

Refer to section

II of this SOW.

The NIST TPOC or the Contracting

Officer’s Representative will confirm that the NMR system meets the performance specifications in the SOW within thirty

(30) days after receipt of the spectrometer and all subcomponents.

VII. TRAVEL

N/A.

VIII. GENERAL INFORMATION

Media Inquiries: The Contractor employee shall not respond to any media inquiries. Any inquiries from the media shall be immediately relayed to the TPOC, COR, and/or CO. There shall be no interviews, comments, or any other response without the knowledge and approval of the

NIST Director.