Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “polymer chains”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
NASA NTRS2014

Synthesis and Properties of Cross-Linked Polyamide Aerogels

We report our ongoing research on polyamide aerogels made by step growth polymerization using a combination of terephthaloyl chloride, isophthaloyl chloride and m-phenylenediamine. Crosslinking of the amine capped polymer chains with 1,3,5-benzenetricarbonyl trichloride causes gelation in as little as two to five minutes. Removing the reaction solvent is accomplished through solvent exchange, followed by drying using supercritical CO2 extraction to give colorless aerogels with densities ranging from 0.07 to 0.33 grams per cubic centimeter and surface areas as high as 440 square meters per gram. Statistical experimental design methodology has been utilized to investigate dependence of properties of these aerogels, such as density, compressive modulus, and surface area, on changes in fabrication parameters including formulated number of amide oligomer repeat units (n-value), acid chloride (meta, para or combination), and solids concentration of solution used for gelation. For example, the density of these materials was found to be dependent on the acid chloride type and the solids concentration, but n was not a significant variable. However, surface area was significantly influenced by all three parameters. The polyamide aerogels represent a potential cost savings over previously reported polyimide aerogels, since monomers are all inexpensive and commercially available. Surface area and density were both highest when 100 terephthaloyl chloride was used but a combination of 5 solid concentration, 100 terephthaloyl chloride and n of 20 gave the best combination of properties.

cross-linked↗
NASA NTRS2018

Phenolic Polymer Interactions with Water and Ethylene Glycol Solvents

Interactions between pre-cured phenolic polymer chains and a solvent have a significant impact on the structure and properties of the final post-cured phenolic resin. Developing an understanding of the nature of these interactions is important and will aid in the selection of the proper solvent that will lead to the desired final product. Here, we investigate the role of the phenolic chain structure and the solvent type on the overall solvation performance of the system through ab initio techniques and molecular dynamics simulations. Two types of solvents are considered: ethylene glycol (EGL) and H2O. Three phenolic chain structures are considered, including two novolac-type chains with either an ortho-ortho (OON) or an ortho-para (OPN) backbone network and a resole-type (RES) chain with an ortho-ortho network. Each system is characterized through a structural analysis of the solvation shell and the hydrogen-bonding environment as well as through a quantification of the solvation free energy along with partitioned interaction energies between specific molecular species. The combination of simulations and the analyses indicate that EGL provides a higher solvation free energy than H2O due to more energetically favorable hydrophilic interactions as well as favorable hydrophobic interactions between CH element groups. In addition, the phenolic chain structure significantly affects the solvation performance, with OON having limited intermolecular hydrogen-bond formations, while OPN and RES interact more favorably with the solvent molecules. The results suggest that a resole-type phenolic chain with an ortho-para network should have the best solvation performance in EGL, H2O, and other similar solvents.

Haskins, Justin B.↗
NASA NTRS2018

Molecular Dynamics Simulations of Liquid and Polymer Electrolytes for Energy Storage Devices

Advancing beyond current lithium-ion technology is necessary in order to enable energy storage devices for electric airplanes. Electrolyte stability is a key limiting factor, yet the design of improved electrolytes remains a formidable challenge. Molecular dynamics (MD) simulations are a powerful tool for studying electrolytes, since they can be used to evaluate structural, thermodynamic, and transport properties, and can provide molecular-level detail often inaccessible to experimental techniques. Our computational materials groups at the NASA Ames Research Center has developed models and methods to accurately simulate both liquid and polymer electrolytes.We report the results from atomistic MD simulations of several electrolyte materials, with lithium salts dissolved in ionic liquids, dimethoxyethane (DME), and polyethylene oxide (PEO). For improved accuracy, we employ polarizable models, where each atom is given an environment-dependent atomic dipole. The simulations accurately predict bulk transport properties, including viscosity, diffusion, and ionic conductivity, in quantitative agreement with available experimental data. Moreover, the simulations provide important insights into the solvation structure of the lithium ions.We also report the results from coarse-grained MD simulations of polyanion electrolytes. In order to more efficiently capture the longer length- and time-scales of these systems, we employ a generic bead-spring model. These simulations provide important insight into how the polymer chain architecture and ionic interaction strengths affect the ionic aggregation behavior and cation dynamics. Despite the simplicity of the model, the simulations yield qualitative agreement with experimental data for similar systems.

Abbott, Lauren J.↗
NASA NTRS1972

Extended chain crystals of linear high polymers.

Studies of extended chain crystals carried out over the last 10 years have been reviewed. Crystallization in an extended chain conformation is possible either by chain folding followed by extension in the solid state, or by crystallization during polymerization. The equilibrium isometric crystal habit is only rarely exhibited. Crystals which derive from folded chain macroconformation by subsequent chain extension have lamellar habit, crystals which crystallize during polymerization often show fibrillar habit because of nucleation limitation. The morphology of extended chain crystals is analogous to folded chain crystals. Their properties have been shown to be close to the extrapolated equilibrium properties.

Wunderlich, B.↗
NASA NTRS1986

Investigation of the effects of short chain processing additives on polymers

The effects of low level concentrations of several short chain processing additives on the properties of the 4,4'-bis(3,4-dicarboxyphenoxy) diphenylsulfide dianhydride (BDSDA)/4,4'-diaminodiphenyl ether (ODA)/1,3'-diaminobenzene (m-phenylene diamine) (MPA) (422) copolyimide were investigated. It was noted that 5 percent MPD/phthalic anhydride (PA) is more effective than 5 percent ODA/PA and BDSDA/aniline (AN) in strengthening the host material. However, the introduction of 10 percent BDSDA/AN produces disproportionately high effects on free volume and free electron density in the host copolyimide.

Singh, J. J.↗
NASA NTRS1975

Isomer effects on polyimide properties

The effect of structure variation on the solubility and glass-transition temperature of polyimide polymers is investigated. The addition of alkyl substituents to an aromatic ring in the polymer molecule, the reduction in the number of imide rings per average polymer chain-length, and a variation in the symmetry of the polymer molecule are studied. The synthesis of key intermediates for the preparation of the monomers required in this investigation is reported along with progress made in the synthesis of polyimide-precursor amines that contain functional groups to allow for post-cure cross-linking.

Stump, B. L.↗
NASA NTRS1993

Resin blending for toughness in balloon films

The influence of chain architecture on toughness is examined by testing blends of HDPE with different types of low density PEs. The LDPE and LLDPE used have reported similar molecular weights, and densities. Two structural factors differentiate these polymers, long chain branching is peculiar to LDPE, and the short chain branching distribution of the two polymers are different. LDPE has branches which are evenly distributed among all chains. In contrast, the short chain branches in LLDPE are distributed heterogeneously. LLDPE and ULDPE have similar branch distributions but, ULDPE has a higher average number of branches per 1000 carbons and consequently a lower density. The effect which these structural differences have on mechanical properties can be used to investigate which parameters control toughness in PE materials.

Farr, M. P.↗
NASA NTRS2005

Ferrocene Containing Copolymers with Improved Electrostatic Dissipation Properties for Advanced Applications

Electrostatic dissipative polymers are used for a variety of functions. Typical methods utilized to transform electrically insulating polymers into either charge dissipative or conductive materials involve incorporating a conductive filler, conductive polymer, oxidizing the surface using plasma, or incorporating surfactants that act as surface wetting agents. Another approach is to synthesize a block copolymer that is expected to result in better electrical properties with minimal impacts to physical, fire, and thermal properties. One such block that can be added into the main chain of polymers is a diol terminated ferrocene oligomer, which is expected to impart electrostatic dissipative properties into the host polymer while concurrently improving the overall fire properties. Previous work with polyurethanes incorporating a ferrocene oligomer into the main chain resulted in much improved fire retardancy. In dealing with electrostatic dissipative materials the important questions are: how easily does the material charge and how quickly can the charge move to ground. One normally describes the materials conductivity, but conductivity only measures the fastest path for an electron not the slowest path. The slowest path is the one of interest, since it is left on the surface and thus can cause discharges. In order to assess ease of charging and decay times corona charge dissipation measurements can accurately assess these properties by introducing a charge on the surface of the material then measuring the surface voltage and the amount of charge deposited. The charge decay curve then will give an indication of a materials electrostatic dissipation properties. Normally, triboelectric testing can be performed, but results vary. Corona charge dissipation results are more repeatable.

Smith, T. M.↗
NASA NTRS1979

Viscoelastic properties of entangled polymers - Ternary blends of monodisperse homopolymers

In a previous publication from this laboratory, the Rouse-Bueche-Zimm molecular theory of viscoelasticity has been extended by using a transient network model to apply to binary blends of monodisperse polymers with chain entanglements. The dynamics of the entanglements were modeled both by the enhanced frictional coefficients and by the additional elastic couplings. It was recognized that entanglements not only may form between chains of the same lengths (intracomponent entanglements) but also between those of different lengths (intercomponent entanglements). At a given intercomponent entanglement, the longer chain was assumed to have the frictional coefficient of the shorter chain. Similarly, for blends consisting of several monodisperse components with different molecular weights, such modifications are also required to predict their linear viscoelastic behavior. The frequency of these interactions is assumed to be proportional to the weight ratio of the respective component chains in the blend. Equations of motion are formulated for each component and solved numerically for the relaxation time spectra. Linear viscoelastic properties such as the dynamic mechanical moduli, stress relaxation moduli, and zero-shear viscosity can then be computed for these systems by linear summation of those of the components.

Soong, D.↗
NASA NTRS1989

The composition of heavy molecular ions inside the ionopause of Comet Halley

The RPA2-PICCA instrument aboard the Giotto spacecraft obtained 10-210 amu mass spectral of cold thermal molecular ions in the coma of Comet Halley. The dissociation products of the long chain formaldehyde polymer polyoxymethylene (POM) have recently been proposed as the dominant complex molecules in the coma of Comet Halley; however, POM alone cannot account for all of the features of the high resolution spectrum. An important component of the dust at Comet Halley is particles highly enriched in carbon, hydrogen, oxygen, and nitrogen relative to the composition of carbonaceous chondrites. Since this dust could be a source for the heavy molecules observed by PICCA, a search was conducted for other chemical species by determining all the molecules with mass between 20 and 120 amu which can be made from the relatively abundant C, H, O, and N, without regard to chemical structure.

Mitchell, David L.↗
NASA NTRS2002

The Diverse Surface Compositions of the Galilean Satellites

The galilean satellites represent a diverse collection, ranging from the volcanic moon Io, with a surface that is changing yearly, to Callisto, with a dark, ancient surface overlying ice. The composition of these surfaces are also quite different due to a variety of processes and influences, including tidal heating, radiolysis, gardening, a magnetic field (Ganymede), and meteoritic infall. Io's surface contains large quantities of sulfur dioxide (SO2) and colorful sulfur allotropes, both originating in plumes and flows from the tidally driven volcanoes. A broad, 1-micron band is found at high latitudes and may be due to absorption by long-chain sulfur polymers produced by SO2 radiolysis, although iron and iron sulfide compounds are candidates. An unidentified 3.15 micron absorber is equatorially distributed while a 4.62 micron band, perhaps due to a sulfate compound, exhibits a non-uniform distribution. Hot spots are generally dark, and some exhibit negative reflectance slopes (i.e., blue). The composition of these lavas has not been established spectroscopically, but the high temperatures of some volcanoes suggest ultramafic silicates or perhaps more refractory material such as oxides.

Carlson, R. W.↗
NASA NTRS1994

Production of RNA by a polymerase protein encapsulated within phospholipid vesicles

Catalyzed polymerization reactions represent a primary anabolic activity of all cells. It can be assumed that early cells carried out such reactions, in which macromolecular catalysts were encapsulated within some type of boundary membrane. In the experiments described here, we show that a template-independent RNA polymerase (polynucleotide phosphorylase) can be encapsulated in dimyristoyl phosphatidylcholine vesicles without substrate. When the substrate adenosine diphosphate (ADP) was provided externally, long-chain RNA polymers were synthesized within the vesicles. Substrate flux was maximized by maintaining the vesicles at the phase transition temperature of the component lipid. A protease was introduced externally as an additional control. Free enzyme was inactivated under identical conditions. RNA products were visualized in situ by ethidium bromide fluorescence. The products were harvested from the liposomes, radiolabeled, and analyzed by polyacrylamide gel electrophoresis. Encapsulated catalysts represent a model for primitive cellular systems in which an RNA polymerase was entrapped within a protected microenvironment.

Non-NASA Center↗