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Results for “Polymer packing”

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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At least 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Efficient carbon capture using sub-textured polymer packing surfaces via 3D printing

Gas absorption is a common unit operation whose performance deeply relies on the gas liquid contact behavior. In this work, we report a solid polymeric surface feature containing microscale striation to improve the solid-liquid and gas-liquid contact and facilitate mass transfer. As a proof of concept, the surface feature is adopted for CO 2 capture absorber packing via 3D printing. Besides traditional embossing texture, an additional laminar striation is applied to the packing surface as a sub-texture. The packing shows notable CO 2 mass transfer increase without interfering with other key operating characteristics including pressure drop and liquid holdup. The improvement is based on the synergy of favorable wettability, thin liquid film and increased liquid mixing from rougher surface. In the demonstration test, the packing height could decrease by 33% using the advanced packing with same CO 2 removal, leading to a significant decrease in equipment size and capital expense for commercial CO 2 capture systems.

3D printing↗
DOE OSTI2021

Tuning Conjugated Polymer Chain Packing for Stretchable Semiconductors

We report in order to apply polymer semiconductors to stretchable electronics, they need to be easily deformed under strain without being damaged. A small number of conjugated polymers, typically with semicrystalline packing structures, have been reported to exhibit mechanical stretchability. Herein, a method is reported to modify polymer semiconductor packing-structure using a molecular additive, dioctyl phthalate (DOP), which is found to act as a molecular spacer, to be inserted between the amorphous chain networks and disrupt the crystalline packing. As a result, large-crystal growth is suppressed while short-range aggregations of conjugated polymers are promoted, which leads to an improved mechanical stretchability without affecting charge-carrier transport. Due to the reduced conjugated polymer intermolecular interactions, strain-induced chain alignment and crystallization are observed. By adding DOP to a well-known conjugated polymer, poly[2,5-bis(4-decyltetradecyl)pyrrolo[3,4-c]pyrrole-1,4-(2H,5H)-dione-(E)-1,2-di(2,2 '-bithiophen-5-yl)ethene] (DPPTVT), stretchable transistors are obtained with anisotropic charge-carrier mobilities under strain, and stable current output under strain up to 100%.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Assembly of Close–Packed Ferroelectric Polymer Nanowires via Interface–Epitaxy with ReS 2

The flexible, transparent, and low-weight nature of ferroelectric polymers makes them promising for wearable electronic and optical applications. To reach the full potential of the polarization-enabled device functionalities, large-scale fabrication of polymer thin films with well-controlled polar directions is called for, which remains a central challenge. The widely exploited Langmuir–Blodgett, spin-coating, and electrospinning methods only yield polymorphous or polycrystalline films, where the net polarization is compromised. Here, an easily scalable approach is reported to achieve poly(vinylidene fluoride-trifluoroethylene) P(VDF-TrFE) thin films composed of close-packed crystalline nanowires via interface-epitaxy with 1T'-ReS 2 . Upon controlled thermal treatment, uniform P(VDF-TrFE) films restructure into about 10 and 35 nm-wide (010)-oriented nanowires that are crystallographically aligned with the underlying ReS 2 , as revealed by high-resolution transmission electron microscopy. Piezoresponse force microscopy studies confirm the out-of-plane polar axis of the nanowire films and reveal coercive voltages as low as 0.1 V. Reversing the polarization can induce a conductance switching ratio of >10 8 in bilayer ReS 2 , over six orders of magnitude higher than that achieved by an untreated polymer gate. Lastly, this study points to a cost-effective route to large-scale processing of high-performance ferroelectric polymer thin films for flexible energy-efficient nanoelectronics.

crystalline nanowires↗
DOE OSTI2024

Comparison of the spatial statistics of random and defined-sequence photoresist films

The resolution-line edge roughness-sensitivity tradeoff has motivated the exploration of potential improvements using defined sequence polymers and polymer-bound photoacid generators and quenchers. We characterize the internal structures of positive tone photoresist polymer films formed from defined sequence polymers and compare them with random copolymers of the same composition. We model their imaging to connect initially to developable film structures. We use a polymer packing algorithm to simulate films of diverse compositions and locations of photoacid generators and quenchers, using the composition of an ESCAP photoresist. We use a simple extreme ultraviolet exposure-deprotection algorithm to model developable image formation within them. In all cases, the spatial distribution of chemical moieties in the film for defined sequence polymers is nearly indistinguishable from random copolymers. We evaluate several exposure-deprotection scenarios and find that a defined sequence copolymer has a distinctive developable image under certain circumstances. The use of defined sequence polymers within a photoresist layer does not automatically result in improved imaging; however, they do have some characteristics different from random polymers of the same composition. Further study of these characteristics may provide a route to improved control over the nanoscale imaging process.

36 MATERIALS SCIENCE↗
NASA NTRS1978

Synthesis of porous polyaromatic column packings for GC analysis of extraterrestrial atmospheres

The preparation of a polymer for the Pioneer-Venus Large Probe Gas Chromatograph and another polymer for gas-chromatographic analysis of the Jovian atmosphere is described. Technical-grade divinylbenzene is used as a reliable and economical source of monomer for the preparation of polymer beads. The discussion covers monomeric preparation, polymerization apparatus, first-stage polymer beads, second-stage polymer beads, amino-polymer, columns and gas-chromatographic testing instrumentation used. The polymer for the Pioneer-Venus gas chromatograph is also suitable for ammonia but not for amine analysis. However, the polymer for the analysis of the Jovian atmosphere is a chemically derivatized aromatic polymer that is suitable for amine analysis. The two-stage polymerization produces a highly efficient polymer packing clearly superior to others prepared by adjusted dilution of the aqueous-organic suspension system.

Woeller, F. H.↗
DOE OSTI2022

Mass transfer intensification through increased surface wetting and liquid turbulence using 3D printing structured packing for CO2 capture

The absorber column is one of the most expensive pieces of equipment to construct in the solvent-based post-combustion carbon capture unit. In order to decrease the absorber size and reduce capital costs, novel polymer packings were proposed by enhancing surface wettability and local turbulence within liquid solvent. The novel packings intensify the mass transfer in CO2 absorption and show better separation efficiency than traditional structured packings. In this work, the economic influence of applying the more efficient packing with a shorter absorber column is studied in a techno-economic analysis for a carbon capture unit at a coal-fired power plant. The baseline case includes CO2 capture unit in a supercritical pulverized coal power plant to generate 650 MWe (net) of electricity, where the additional CO2 capture unit leads to 63.4% increase of LCOE. While implementing UK PCC with traditional and novel packings, there will be 47.2% and 46.4% LCOE increase separately, both of which are lower than the baseline value. Applying more efficient packing and smaller absorber could further lessen the LCOE increase. The UK PCC with traditional packings reduces CO2 capture cost by 23.4% and the application of the advanced packings allows to the reduction increases to 24.4%.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2024

Liquid state theory of the structure of model polymerized ionic liquids

We employ polymer integral equation theory to study a simplified model of semiflexible polymerized ionic liquids (PolyILs) that interact via hard core repulsions and short range screened Coulomb interactions. The multi-scale structure in real and Fourier space of PolyILs (ions chosen to mimic Li, Na, K, Br, PF 6 , and TFSI) are determined as a function of melt density, Coulomb interaction strength, and ion size. Comparisons with a homopolymer melt, a neutral polymer–solvent-like athermal mixture, and an atomic ionic liquid are carried out to elucidate the distinct manner that ions mediate changes of polymer packing, the role of excluded volume effects, and the influence of chain connectivity, respectively. The effect of Coulomb strength depends in a rich manner on ion size and density, reflecting the interplay of steric packing, ion adsorption, and charge layering. Ion-mediated bridging of monomers is found, which intensifies for larger ions. Intermediate range charge layering correlations are characterized by a many-body screening length that grows with PolyIL density, cooling, and Coulomb strength, in disagreement with Debye–Hückel theory, but in accord with experiments. Qualitative differences in the collective structure, including an ion-size-dependent bifurcation of the polymer structure factor peak and pair correlation function, are predicted. The monomer cage order parameter increases significantly, but its collective ion counterpart decreases, as ions become smaller. Such behaviors allow one to categorize PolyILs into two broad classes of small and large ions. Furthermore, dynamical implications of the predicted structural results are qualitatively discussed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Additively Manufactured Intensified Device for Enhanced Carbon Capture

Additively manufactured packed bed devices for the enhancement of carbon capture were successfully developed, built, characterized, and tested in this project. The objective was to demonstrate that in situ cooling of chemical absorption could have beneficial effects on the absorption rate of CO 2 . This was achieved in two stages, divided between FY 2018 and FY 2019. First, the feasibility of printing conventional packing elements was investigated, and the core hydrodynamic metrics were experimentally validated. The data obtained in those studies informed the operating conditions set for the next stage, which was to validate the efficacy of in situ cooling provided by an additively manufactured packed bed element, referred to as the intensified device. The intensified device is designed to enable heat exchange between an internally flowing coolant and the gas-liquid system flowing on the external corrugated surface of the packing. Polymer and metal were both considered as the base materials for the device, and comparative studies on hydrodynamic properties were performed. These considerations, as well as thermal properties and leak tests led to aluminum being chosen as the base material for experimental validation of capture enhancement. The experimental validation was first conducted under non-reactive conditions, and after establishing heat-exchange capabilities, was subsequently conducted under reactive conditions. These studies demonstrated that in situ cooling can benefit absorption given the appropriate operating conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

In Situ Ultra-Small- and Small-Angle X-ray Scattering Study of ZnO Nanoparticle Formation and Growth through Chemical Bath Deposition in the Presence of Polyvinylpyrrolidone

ZnO inverse opals combine the outstanding properties of the semiconductor ZnO with the high surface area of the open-porous framework, making them valuable photonic and catalysis support materials. One route to produce inverse opals is to mineralize the voids of close-packed polymer nanoparticle templates by chemical bath deposition (CBD) using a ZnO precursor solution, followed by template removal. To ensure synthesis control, the formation and growth of ZnO nanoparticles in a precursor solution containing the organic additive polyvinylpyrrolidone (PVP) was investigated by in situ ultra-small- and small-angle X-ray scattering (USAXS/SAXS). Before that, we studied the precursor solution by in-house SAXS at T = 25 °C, revealing the presence of a PVP network with semiflexible chain behavior. Heating the precursor solution to 58 °C or 63 °C initiates the formation of small ZnO nanoparticles that cluster together, as shown by complementary transmission electron microscopy images (TEM) taken after synthesis. The underlying kinetics of this process could be deciphered by quantitatively analyzing the USAXS/SAXS data considering the scattering contributions of particles, clusters, and the PVP network. A nearly quantitative description of both the nucleation and growth period could be achieved using the two-step Finke–Watzky model with slow, continuous nucleation followed by autocatalytic growth.

36 MATERIALS SCIENCE↗
NASA NTRS1986

Investigation of porous polymer gas chromatographic packings for atmospheric analysis of extraterrestrial bodies

Measurement of the permanent gases in the atmospheres of mission targets is a major objective. A 16 meter long Porapak N column was used on the Venus probe and required a rather high carrier gas flow rate. The researchers have, therefore, surveyed commercial porous polymer types which had some ability to resolve nitrogen, oxygen, argon and carbon monoxide gases. Porapaks N and Q appeared superior to most. Batch to batch variation, however, was quite wide, so the researchers learned how to synthesize porous polymer and investigated some of the factors affecting the separations. A polymer was synthesized which was superior to all commercial products and allowed at least a 50% reduction in length and flow rate of carrier gas. Similar studies were made concerning the separation of hydrocarbons and new porous polymers have been synthesized which represent significant improvements in time of analysis, column, and carrier gas flow rate.

Pollock, G. E.↗
DOE OSTI2021

Resonant Tender X-ray Diffraction for Disclosing the Molecular Packing of Paracrystalline Conjugated Polymer Films

The performance of optoelectronic devices based on conjugated polymers is critically dependent upon molecular packing; however, the paracrystalline nature of these materials limits the amount of information that can be extracted from conventional X-ray diffraction. Resonant diffraction (also known as anomalous diffraction) occurs when the X-ray energy used coincides with an X-ray absorption edge in one of the constituent elements in the sample. The rapid changes in diffraction intensity that occur as the X-ray energy is varied across an absorption edge provide additional information that is lost in a conventional nonresonant experiment. Taking advantage of the fact that many conjugated polymers contain sulfur as heteroatoms, here we reveal pronounced resonant diffraction effects at the sulfur K-edge with a particular focus on the well-studied electron transporting polymer poly([N,N'-bis(2-octyldodecyl)-naphthalene-1,4,5,8-bis(dicarboximide)-2,6-diyl]-alt-5,5'-(2,2'-bithiophene)), P(NDI2OD-T2). The observed behavior is found to be consistent with the theory of resonant diffraction, and by simulating the energy-dependent peak intensity based on proposed crystal structures for P(NDI2OD-T2), we find that resonant diffraction can discriminate between different crystalline packing structures. The utilization of resonant diffraction opens up a new way to unlock important microstructural information about conjugated polymers for which only a handful of diffraction peaks are typically available.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Bimolecular crystal instability and morphology of bulk heterojunction blends in organic and perovskite solar cells

The performance of polymer:fullerene bulk heterojunction (BHJ) solar cells is significantly influenced by the morphology of electron donor and acceptor blends under the premise that electronic structure is complimentary regarding donor and acceptor materials. There are many cases where intimate mixing of donor and acceptor perturbs the electronic structure, which fundamentally changes the transport and photovoltaic characteristics. In this work, we present the bimolecular crystal packing of polymers and fullerenes, and investigate the correlation between device performance and structural details. We find that bimolecular crystallization can reorganize polymer chain packing, leading to poor electron transport and device performance. The size compatibility and the passivation of entropy penalty led to cocrystallization instability, which was clearly seen by in situ GIWAXS data. PC 61 BM is found to intercalate into side chains of PQT by reorganizing both PQT and PC 61 BM, forming stable, highly ordered bimolecular crystals. The poor electron transport in bimolecular crystal domain could account for the poor device performance in both perovskite and organic solar cells. Bis-PC 61 BM, on the other hand, only forms loosely packed aggregates in solution, and then rapidly phase separated into large domains with an edge-on interfacial orientation and performed poorly in solar cells.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Insulation or Irradiance: Exploring Why Bifacial Photovoltaics Run Hot

Bifacial photovoltaics are predicted to become the dominant device architecture over the next couple of years, but their thermal performance is not yet well understood. In this study, we model the thermal effects of different backside lamination materials on the performance of bifacial PERC cells. Glass-glass laminated cells were found to operate hotter than equivalent glass-polymer backsheet packed cells. This was solely due to the increased absorption of rear side incident light.

bifacial↗
DOE OSTI2021

Observation of Stepwise Ultrafast Crystallization Kinetics of Donor–Acceptor Conjugated Polymers and Correlation with Field Effect Mobility

The semicrystalline microstructures of donor-acceptor conjugated polymers strongly impact their optoelectronic properties. The control of the microstructure relies on the understandings of the crystallization processes in these polymers, from packing structures to crystallization kinetics. How fast these conjugated polymer chains crystallize and how their chemical structures and pre-existing microstructure history influence their crystallization have so far remained unclear, due to the fast crystallization rate caused by chain rigid structures and strong interactions. Here, ultrafast scanning calorimetry (FSC) is employed to reveal the crystallization behaviors of high perform- ance diketopyrrolopyrrole (DPP)-based conjugated polymers with scanning rates up to 500 000 K/s. Through elaborately designed nonisothermal and isothermal crystallization studies, we probed the fast crystallization kinetics and extracted the two-step crystallization process of these polymers quantitatively. We found that both the rigidity of the chain backbones and the preinduced crystalline microstructures can influence the crystallization rate over an order of magnitude at the same degree of undercooling. We further demonstrated the manipulated crystallization kinetics in the DPP-based polymer films with different amounts of preinduced crystallites and correlate it to the polymers’ charge transport mobility.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Chain and Segmental Dynamics in Polymer–Nanoparticle Composites with High Nanoparticle Loading

Recent experimental and simulation studies have shown that polymer–nanoparticle (NP) composites (PNCs) with ultra-high NP loading (>50%) exhibit remarkable mechanical properties and dramatic increases in polymer glass-transition temperature, viscosity, and thermal stability compared to the bulk polymer. These deviations in macroscopic properties suggest a slowdown in both segmental and chain-scale polymer dynamics due to confinement. In this work, we examine the polymer conformations and dynamics in these PNCs using molecular dynamics simulations of both unentangled and entangled coarse-grained polymers in random-close-packed NP packings with varying polymer fill fractions. We find that the changes in the polymer dynamics depend on the number of NPs in contact with a polymer segment. Using the number of polymer–NP contacts and different polymer chain conformations as criteria for categorization, we further examine the polymer dynamics at multiple length scales to show the high level of dynamic heterogeneity in PNCs with ultra-high NP loading.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗