Statement of Work.pdf

Statement of Work

Abstraction and Evaluation of Thermochemical Data for Gas Phase Anions and

Anion Clusters

I. BACKGROUND

The National Institute of Standards and Technology (NIST) has been involved in the collection and publishing of gas phase anion thermochemistry data for over thirty-five years.

This data has been published in a book, a PC database, and a web site as part of NIST’s Standard Reference Data (SRD) activities. NIST and its customers have a continuing need for reliable information on the thermochemistry of gas phase anions and anion clusters. This data is needed in support of NIST data activities including the NIST Chemistry WebBook (https://webbook.nist.gov/). As part of NIST’s SRD program it is essential that this data be critically evaluated by an expert.

II. OBJECTIVES

The work will support the ion thermochemistry data portion of the NIST Chemistry WebBook, a part of NIST’s SRD program. This effort will seek to update NIST’s collection of data, by abstracting and evaluating data from the scientific literature. The results of the work will be published on-line by NIST where it will be available to researchers, educators, and the general public. This is consistent with NIST’s mission as dictated by Congress through the SRD Act (U.S. Code, title 15, chapter 7A).

III. SCOPE

The Contractor shall review and evaluate recently published data in the fields of anion thermochemistry and anion cluster thermochemistry. This data will expand the existing database published by NIST within NISTs Chemistry WebBook site. This work will primarily consist of abstraction of evaluation of data from the literature along with computations to assess the quality of such data. There are two major deliverables: a database of anion thermochemistry data and documentation which describes the database.

IV. TASKS

This is a performance-based work statement.

The Contractor shall provide all support for project oversight, equipment, administration and technical execution of this contract. The Contractor is responsible for maintaining accurate records of project activities.

The Contractor shall carry out three tasks:

Task I: Thermochemistry data on anion and anion clusters shall be abstracted from the scientific literature and added to the existing database. This work shall cover recently published data and ensure that that current database is kept up to date. Data to be recorded in the database include the following:

• Identification of the relevant chemical species. This shall include information such as CAS numbers, CAS numbers of the conjugate acid, chemical names, and chemical formulas.

https://webbook.nist.gov/

Statement of Work – Anion Thermochemistry Data

• Identification of the source of the data. This shall include a full citation for all literature references.

• Information on the manner in which the data was obtained. This shall typically be done by recording a code to denote the technique used to obtain the data. It may also include comments from the archivist to further clarify the nature of the data.

• The actual data. This shall include enthalpies of formation, electron affinities, and entropies, free energies, and enthalpies of reaction (for cluster formation). Reported uncertainties and units of measure must be included in the data.

Task II: Computational work shall be carried out to help in the evaluation of data abstracted from the literature. This work shall be done to identify unreliable data; such data shall then be appropriately labeled in the database.

Task III: Quarterly progress reports shall be provided to assess the progress of work.

V. PERIOD OF PERFORMANCE

The period of performance shall be one (1) year from the time of contract award. The Government may elect to award up to four (4) 1-year options.

The option periods are for the same tasks as the first year. Since the literature used for the database grows over time, this work needs to continue to keep the database up to date.

VI. PLACE OF PERFORMANCE

Work shall take place at the Contractors facility.

VII. DELIVERABLES

The Contractor shall perform in accordance with the requirements and is responsible for successfully providing all corresponding deliverables in the chart below. The Contractor shall submit deliverables to the COR via email.

Deliverable Quantity/Media Due Date

Quarterly progress reports Provided electronically in a format that can be read by Microsoft Word, including plain text.

Quarterly beginning at the time of contract award

Updated ion thermochemistry database

Provided electronically in files that use a columnar format which can be read by common data processing software.

One (1) year from the date of award.

Database Documentation Provided electronically in a format that can be read by Microsoft Word.

One (1) year from the date of award.

Statement of Work – Anion Thermochemistry Data

VIII. STANDARDS PERFORMANCE SUMMARY

IX. CONTRACTORS MINIMUM QUALIFICATIONS

This work requires specialized knowledge and experience. The contractor shall have at a minimum a MS degree or higher in the physical sciences or engineering. The contractor shall also have a minimum of 10 years’ experience in the field of ion thermochemistry with demonstrated expertise through publications in the open literature and presentations at scientific conferences. It is expected that the successful candidate will need to have a strong technical understanding of chemical identification and nomenclature and ion thermochemistry including relevant experimental and computational methods.

X. ACCEPTANCE

The COR will provide comments on each deliverable within 20 calendar days from receipt of a deliverable. The contractor shall make needed changes to the deliverables within 20 calendar days from receipt of electronic or written comments from the COR.

Desired Output Required Service

Performance Standard Monitoring Method

Quarterly progress reports

Progress reports must be submitted to NIST to make sure the work is being carried out as expected.

Reports should document the number of papers from which data are abstracted along with the methods used to evaluate the abstracted data

Reports will be reviewed by the Contracting Officers Representative (COR) to ensure compliance with performance standards.

Updated ion thermochemistry database

An updated ion thermochemistry database shall be supplied in be in files with a columnar data format that can be read by common data processing software.

The database should contain updated data abstracted from the peer-reviewed literature.

The data should include the following for each value added:

the source of the value (literature reference), the way the value was originally determined (experimental method), a precise identification of the chemical species, and an indication of how the value was evaluated.

The database will be reviewed by the Contracting Officers Representative (COR) to ensure compliance with performance standards.

Database Documentation

The updated database must be accompanied by documentation that describes the contents of the database.

The documentation will completely describe the contents of the updated database. This will include documentation of the format of the database files submitted and definitions of each column in the files.

The documentation reviewed by the Contracting Officers Representative (COR) to ensure compliance with performance standards.