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Results for “polymeric conformational effect”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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Development of organic non-flammable spacecraft potting, encapsulating and conformal coating compounds

The overall program objective was to develop a flexible compound which not only functioned in a manned aerospace environment as an effective electrical insulation, but whose flammability characteristics in 16.5 psia, 60% oxygen/40% nitrogen were evidenced by rapid self-extinguishment and minimal thermal (pyrolysis) degradation. The following polymeric matrices were examined in depth: fluoroelastomers, modified fluoroelastomers, silicone RTV's, and modified silicone and fluorosilicone RTV's. Almost none of these systems burned in air, but all burned in 6.2 psia oxygen. Inorganic, organic, and inorganic/organic additives were evaluated in conjunction with these polymers in order to achieve the required survival in the 16.5 psia 60/40 environment. Depending upon formulations, it was possible to achieve nonflammable products when tested in the 1/4 in. x 1/4 in. x 1 in. configuration, even up to and including 16.5 psia oxygen. However, in order to assure this level of flame resistance, it was found necessary to heavily load the matrix with the additives. This resulted in a significant reduction in mechanical properties and large increases in viscosities. Optimization of formulations to obtain a suitable balance between these properties and flammability resistance led to the final selection of Formulation 387 as the primary system.

Lieberman, S. L.↗

Crosslinking Amine-Modified Silica Aerogels with Epoxies: Mechanically Strong Lightweight Porous Materials

The mesoporous surfaces of TMOS-derived silica aerogels have been modified with amines by co-polymerization of TMOS with APTES. The amine sites have become anchors for crosslinking the nanoparticles of the skeletal backbone of the aerogel by attachment of di-, tri and tetra-functional epoxies. The resulting conformal coatings increase the density of the native aerogels by a factor of 2-3 but the strength of the resulting materials may increase by more than two orders of magnitude. Processing variables such as amount of APTES used to make the gels, the epoxy type and concentration used for crosslinking, as well as the crosslinking temperature and time were varied according to a multivariable design-of-experiments (DOE) model. It was found that while elastic modulus follows a similar trend with density, maximum strength is attained neither at the maximum density nor at the highest concentration of -NH2 groups, suggesting surface saturation effects. Aerogels crosslinked with the tri-functional epoxide always show improved strength compared with aerogels crosslinked with the other two epoxides under identical conditions. Solid C-13 NMR studies show residual unreacted epoxides, which condense with ne another by heating crosslinked aerogels at 150 C.

Meador, Mary Ann B.↗

Prediction of nonlinear optical properties of organic materials. General theoretical considerations

The prediction of nonlinear optical properties of organic materials is geared to assist materials scientists in the selection of good candidate molecules. A brief summary of the quantum mechanical methods used for estimating hyperpolarizabilities will be presented. The advantages and limitations of each technique will be discussed. Particular attention will be given to the finite-field method for calculating first and second order hyperpolarizabilities, since this method is better suited for large molecules. Corrections for dynamic fields and bulk effects will be discussed in detail, focusing on solvent effects, conformational isomerization, core effects, dispersion, and hydrogen bonding. Several results will be compared with data obtained from third-harmonic-generation (THG) and dc-induced second harmonic generation (EFISH) measurements. These comparisons will demonstrate the qualitative ability of the method to predict the relative strengths of hyperpolarizabilities of a class of compounds. The future application of molecular mechanics, as well as other techniques, in the study of bulk properties and solid state defects will be addressed. The relationship between large values for nonlinear optical properties and large conjugation lengths is well known, and is particularly important for third-order processes. For this reason, the materials with the largest observed nonresonant third-order properties are conjugated polymers. An example of this type of polymer is polydiacetylene. One of the problems in dealing with polydiacetylene is that substituents which may enhance its nonlinear properties may ultimately prevent it from polymerizing. A model which attempts to predict the likelihood of solid-state polymerization is considered, along with the implications of the assumptions that are used. Calculations of the third-order optical properties and their relationship to first-order properties and energy gaps will be discussed. The relationship between monomeric and polymeric third-order optical properties will also be considered.

Cardelino, B.↗