Publications

Thornberg, Steven M.; White, Michael I.; Irwin, Adriane N.; Hochrein, James M.

Abstract not provided.

Thornberg, Steven M.; Irwin, Adriane N.; Boyd, Rachael D.; White, Michael I.; Hochrein, James M.; Brown, Jason R.

Abstract not provided.

Polymer Degradation and Stability

Bernstein, Robert; Thornberg, Steven M.; Irwin, Adriane N.; Hochrein, James M.; Derzon, Dora K.; Klamo, Sara B.; Clough, Roger L.

PP samples, in which the three unique carbon atom positions along the chain were selectively labeled with C-13, have been subjected to γ-irradiation in the presence of oxygen, and the resulting organic volatile products analyzed by GC/MS. The isotopic labeling patterns in 33 organic degradation compounds have been assigned by comparison of the four mass spectra for each compound (from unlabeled PP, and from the three labeled PP materials). The volatile products have been "mapped" onto their positions of origin from the PP macromolecule, and insights have been gained into the chemistry through which these compounds must have formed. Most products show high specificity of isotopic labeling, indicating a single dominant reaction pathway. Oxidation chemistry occurred heavily at the C(2) tertiary carbon, with chemistry also at C(1) methylene. Methyl ketones are in abundance, along with alcohols, some aliphatic hydrocarbons, and other compound types. The C(3) methyl carbon remained attached to its original C(2) position in all catenated degradation products, and underwent no chemistry. However, products containing "non-catenated" carbons (i.e., not bonded to any other carbon atom) consisted entirely of a mix of C(3) and C(1). By examination of the labeling patterns, many products could be assigned to two successive chain scission events in close proximity, while others are clearly seen to arise from cleavage, followed by radical-radical recombination reactions. Interestingly, the former products (two chain scissions) are all found to have an odd number of carbon atoms along their chain, while the latter (scission followed by radical-radical reaction) all have an even number of carbons. An explanation of this odd/even phenomenon is provided in terms of the symmetry of the PP macromolecule.

Thornberg, Steven M.; Irwin, Adriane N.; Hochrein, James M.; Brown, Jason R.; Wiemann, Dora K.

Abstract not provided.

Thornberg, Steven M.; Irwin, Adriane N.; Hochrein, James M.; Brown, Jason R.; Wiemann, Dora K.

Abstract not provided.

Irwin, Adriane N.; Thornberg, Steven M.; Brown, Jason R.; Hochrein, James M.

HFE-7100 and FC-72 fluorinert are two fluids used during weapon component manufacturing. HFE-7100 is a solvent used in the cleaning of parts, and FC-72 is the blowing agent of a polymeric removable foam. The presence of either FC-72 or HFE-7100 gas in weapon components can provide valuable information as to the stability of the materials. Therefore, gas standards are needed so HFE-7100 and FC-72 gas concentrations can be accurately measured. There is no current established procedure for generating gas standards of either HFE-7100 or FC-72. This report outlines the development of a method to generate gas standards ranging in concentration from 0.1 ppm to 10% by volume. These standards were then run on a Jeol GC-Mate II mass spectrometer and analyzed to produce calibration curves. We present a manifold design that accurately generates gas standards of HFE-7100 and FC-72 and a procedure that allows the amount of each to be determined.

Polymer Degradation and Stability

Thornberg, Steven M.; Assink, Roger A.; Irwin, Adriane N.; Hochrein, James M.; Brown, Jason R.; Wiemann, Dora K.

Abstract not provided.

Thornberg, Steven M.; Assink, Roger A.; Alam, Mary K.; Hochrein, James M.; Brown, Jason R.; Irwin, Adriane N.; Wiemann, Dora K.

Abstract not provided.

Proposed for publication in Nuclear Instruments and Methods in Physics Research B.

Thornberg, Steven M.; Assink, Roger A.; Alam, Mary K.; Irwin, Adriane N.; Hochrein, James M.; Wiemann, Dora K.

Abstract not provided.

Irwin, Adriane N.; Mowry, Curtis D.; Borek, Theodore T.

Abstract not provided.

Robinson, Alex L.; Showalter, Steven K.; Lewis, Patrick R.; Shelmidine, G.J.; Carrejo Simpkins, Kimberly C.; Dirk, Shawn M.; Borek, Theodore T.; Irwin, Adriane N.

The gas-phase {mu}ChemLab{trademark} developed by Sandia can detect volatile organics and semi-volatiles organics via gas phase sampling . The goal of this three year Laboratory Directed Research and Development (LDRD) project was to adapt the components and concepts used by the {mu}ChemLab{trademark} system towards the analysis of water-borne chemicals of current concern. In essence, interfacing the gas-phase {mu}ChemLab{trademark} with water to bring the significant prior investment of Sandia and the advantages of microfabrication and portable analysis to a whole new world of important analytes. These include both chemical weapons agents and their hydrolysis products and disinfection by-products such as Trihalomethanes (THMs) and haloacetic acids (HAAs). THMs and HAAs are currently regulated by EPA due to health issues, yet water utilities do not have rapid on-site methods of detection that would allow them to adjust their processes quickly; protecting consumers, meeting water quality standards, and obeying regulations more easily and with greater confidence. This report documents the results, unique hardware and devices, and methods designed during the project toward the goal stated above. It also presents and discusses the portable field system to measure THMs developed in the course of this project.

Borek, Theodore T.; Borek, Theodore T.; Hochrein, James M.; Irwin, Adriane N.

The essential oils of Juniperus scopulorum, Artemisia tridentata, and Salvia apiana obtained by steam extraction were analyzed by GC-MS and GC-FID. For J. scopulorum, twenty-five compounds were identified which accounts for 92.43% of the oil. The primary constituents were sabinene (49.91%), {alpha}-terpinene (9.95%), and 4-terpineol (6.79%). For A. tridentata, twenty compounds were identified which accounts for 84.32% of the oil. The primary constituents were camphor (28.63%), camphene (16.88%), and 1,8-cineole (13.23%). For S. apiana, fourteen compounds were identified which accounts for 96.76% of the oil. The primary component was 1,8-cineole (60.65%).

Proposed for publication in Flavor and Frangrance.

Borek, Theodore T.; Borek, Theodore T.; Hochrein, James M.; Irwin, Adriane N.

Abstract not provided.

Proposed for publication in Flavor and Frangrance.

Borek, Theodore T.; Borek, Theodore T.; Hochrein, James M.; Irwin, Adriane N.

Abstract not provided.

Proposed for publication in Flavor and Frangrance.

Borek, Theodore T.; Borek, Theodore T.; Hochrein, James M.; Irwin, Adriane N.

The essential oil of white sage, Salvia apiana, was obtained by steam distillation and analysed by GC-MS. A total of 13 components were identified, accounting for >99.9% of the oil. The primary component was 1,8-cineole, accounting for 71.6% of the oil.