Polaron Delocalization in Donor-Acceptor Polymers and its Impact on Organic Electrochemical Transist
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Moser, Maximilian↗
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Results for “polymer additive”
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Polymer genome–based prediction of gas permeabilities in polymers
Abstract Predicting gas permeabilities of polymers a priori is a long-standing challenge within the membrane research community that has important applications for membrane process design and ultimately widespread adoption of membrane technology. From early attempts based on free volume and cohesive energy to more recent group contribution methods, the ability to predict membrane permeability has improved in terms of accuracy. However, these models usually stay “within the paper”, i.e. limited model details are provided to the wider community such that adoption of these predictive platforms is limited. In this work, we combined an advanced polymer chemical structure fingerprinting method with a large experimental database of gas permeabilities to provide unprecedented prediction precision over a large range of polymer classes. No prior knowledge of the polymer is needed for the prediction other than the repeating unit chemical formula. In addition, we have incorporated this model into the existing Polymer Genome project to make it open to the membrane research community.
Polymer Science↗
Selection, Production, and Properties of Regolith Polymer Composites for Lunar Construction
NASA’s Artemis Program seeks to establish a long-term presence on the moon to enable scientific discoveries and utilization of lunar resources through public-private partnerships. Over the next decades, a lunar spaceport enabling regular transportation from and to Earth will need to be established to provide the services and facilities that are necessary to achieve this goal. Robotic construction technologies using in-situ materials must be developed to build up enabling infrastructure such as launch/landing pads, blast protection, power/communications towers, improved trafficability pathways and radiation protection shelters. Kennedy Space Center’s Granular Mechanics and Regolith Operations laboratory at Swamp Works has partnered with AI SpaceFactory to develop the architectural and structural design of an unpressurized shelter. The shelter, called Lina, is designed to protect astronauts and surface assets from radiation, meteoroid impact, moon quakes and thermal gradients. Lina’s structural design criteria and the resulting structure design are detailed in separate papers. A Fused Filament Fabrication (FFF) construction process using regolith polymer composites has been developed. This paper presents the material formulations and selection rationale for each of the composite components. Formulations include 70:30, 80:20, and 85:15 wt.% mixture ratios of lunar mare simulant Black Point-1 (BP-1): Polylactic Acid (PLA), 80:20 Lunar Highlands Simulant (LHS-1): PLA and an 80:20 BP-1:PLA formulation with a processing aid/compatibilizer additive. Test samples were printed in simulated lunar dirty thermal vacuum conditions (~-180 °C, ~10 -3 torr). The test environment evolved throughout the duration of the print process. A series of tests were performed to characterize the mixture ratios achieved for each formulation, the off-gassing products during vacuum printing, the strength properties, and porosity of printed products. The LHS-1: PLA formulation yielded an advantageous combination of properties and was used in a final test that additively constructed a sub-scaled Lina on regolith simulant in dirty vacuum conditions.
lunar infrastructure↗
Tunable polyvinyl chloride (PVC) and thermoplastic polyurethane (TPU)-based soft polymer gel sensors
Abstract Polyvinyl chloride (PVC) gels have recently been found to exhibit mechanoelectrical transduction under mechanical deformation. These mechanoelectrical properties of PVC gels are largely uncharacterized and the underlying transduction mechanisms are currently unknown. These soft electroactive polymers have tunable properties such as modulus and response voltage based on physical dimensions and the amount of plasticizer content within the material making them ideal candidates for complaint sensors. This study aims to investigate PVC gels comprised of various plasticizers to further investigate underlying mechanisms of mechanoelectrical transduction and broaden possible sensing applications. Plasticizers used in this study include dibutyl adipate, dibutyl phthalate, dioctyl phthalate, otherwise known as bis(2-ethylhexyl) phthalate, diisodecyl adipate, and the environmentally friendly biodegradable plasticizer acetyl tributyl citrate (ATBC). ATBC is often used in cosmetics and food packaging applications and is even used as a food additive which may lead to future biocompatibility for these gel sensors. These plasticizers are used to produce PVC gel sensors that are experimentally tested for mechanoelectrical transduction properties and sensing performance. In this study, a Langmuir adsorptive model is fit to the collected mechanoelectrical transduction data. These results are also nondimensionalized and compared to the characteristic dimensionless Langmuir adsorptive model. This simple model agrees very well with the experimental data. Additionally, a study on the mechanoelectrical transduction of an alternative polymer lattice structure, thermoplastic polyurethane (TPU), is discussed. This is a novel electroactive polymer investigated for mechanoelectrical transduction properties. This portion of the study aims to further knowledge of underlying mechanisms of mechanoelectrical transduction as well as show feasibility of additional lattices for soft polymer gel sensors. These TPU gel sensors show strikingly similar mechanoelectrical transduction properties to analogous PVC gels, insinuating that the polymer structure has a limited role in the underlying sensing mechanism and PVC itself is not unique to polymer gel sensing. The TPU-based soft polymer gel sensors however do display some level of mechanoelectrical hysteresis which may be attributed to viscoelastic properties and display a small amount of fatigue possibly due to exudation of liquid plasticizer. This study provides further characterization of mechanoelectrical response for varying plasticizers, provides a theoretical framework for underlying mechanisms, and displays the potential for further polymeric gel sensors.
Instruments & Instrumentation↗
Multi-coat polymer photonic crystal films
Polymer composite photonic crystal materials are disclosed as coatings and topcoats which have high reflection (>30%) in a specific range of the electromagnetic spectrum, such as ultraviolet (<400 nm), visible (Vis, 400 nm-700 nm), or near-infrared radiation range (NIR, 700-2000 nm), and relatively low reflection (<20% reflection) in a second, different range of the electromagnetic spectrum. Surprisingly, it was found that through a formulation and additives approach, the optical properties of polymer composite photonic crystal films can be selectively modified from a variety of different coating methods, including spray deposition.
Pearson, Ryan Michael↗
Development of the Advanced Regolith Ground Operations (ARGO) Test Bed– A Robotic Construction Test Facility with Simulated Lunar Environments
NASA’s Artemis Program is working towards developing a sustained presence on the Moon and eventually Mars. To achieve this goal, robotic excavation, site preparation and construction technologies are under development to establish the capability to construct infrastructure such as launch/landing pads and radiation protection shelters. Technologies must be proven in simulated Lunar conditions prior surface demonstration missions. To that end, the Relevant Additive Construction Technology (REACT) Announcement of Collaboration Opportunities (ACO) project with AI Space Factory and the NASA Kennedy Space Center’s (KSC) Granular Mechanics and Regolith Operations Laboratory (a.k.a. Swamp Works) has developed the Advanced Regolith Ground Operations (ARGO) Test Bed. ARGO includes a ~1.5m x 1.5m x 1.2m (~5x5x4ft) vacuum chamber, cryogenically cooled thermal shroud, a 3-axis robotic positioning system, and a regolith bin. For the REACT project, a pellet extruder and feed hopper have been installed on ARGO to advance the Technology Readiness Level (TRL) of regolith-polymer composite Fused Deposition Modeling (FDM) additive construction systems, processes, and materials. This paper will focus on the design and operational characteristics of the ARGO Test Bed with pellet extruder.
Moon↗
Selection, Production, and Properties of Regolith Polymer Composites for Lunar Construction
NASA’s Artemis Program seeks to establish a long-term presence on the Moon to enable scientific exploration and expand the cis-lunar economy by utilizing lunar resources through public-private and international partnerships. Over the next decades, a lunar spaceport will need to be established to provide the services and facilities that are necessary to achieve this goal. Robotic construction technologies using in-situ materials must be developed to build up enabling infrastructure such as launch/landing pads, blast protection, power/communications infrastructure, improved roads, improved operational surfaces, and radiation protection shelters. Kennedy Space Center’s Granular Mechanics and Regolith Operations laboratory at Swamp Works has partnered with SpaceFactory and LERA Consulting Structural Engineers to develop the architectural and structural design of an unpressurized lunar shelter. The shelter, called Lunar Infrastructure Asset (LINA), is designed to support 2.3 m of regolith overburden to protect astronauts and surface assets from radiation, meteoroid impact, thermal gradients/cycling, and to withstand moonquakes. LINA’s structural design criteria and the resulting structure design are detailed in separate papers. A Fused Filament Fabrication (FFF) construction process using regolith polymer composites has been developed and is detailed in a separate publication. This paper presents material formulations and selection rationale for each of the composite components that were examined. Formulations include 70:30, 80:20, and 85:15 wt.% mixture ratios of lunar mare simulant Black Point-1 (BP-1): Polylactic Acid (PLA), 80:20 Lunar Highlands Simulant-1 (LHS-1): PLA and an 80:20 BP-1: PLA formulation with a flow enhancer additive. Test samples were printed in simulated lunar dirty thermal vacuum conditions (-190 °C, 10-3 torr). A series of tests were performed on each formulation to characterize the achieved mixture ratio, mechanical strength properties, off-gassing products during vacuum printing, and porosity and density of printed products. The LHS-1: PLA formulation yielded an advantageous combination of properties and was used in a final test that additively constructed a sub-scaled LINA on regolith simulant in dirty vacuum conditions. The materials and construction process presented in this paper are considered to be at Technology Readiness Level (TRL) 5 with additional testing necessary to characterize long term lunar environmental exposure effects.
lunar infrastructure↗
Polymer-cement composites with adhesion and re-adhesion (healing) to casing capability for geothermal wellbore applications
Deterioration of cement/casing adhesion in wellbore scenarios can result in unwanted and potentially harmful leakage with the potential of serious repair costs. In this work, we explore the use of self-healing polymers added to conventional wellbore cements as a way to bring about self-healing and readhering (to steel casing) properties to the composite material. The polymers are pH resistant and seem to improve the cement integrity after exposure to typical chemical and thermal stresses encountered under geothermal wellbore conditions. We find that addition of about 10-15 wt% of polymer to the cement visually increases its resistance to fracturing from exposure to geothermal conditions, while the adhesive strength of cement/stainless steel increases with curing time for a period of about 10 days. Self-healing capability was demonstrated by permeability analysis showing that polymer-cement composites reduce flow by 50-70% at cement bulk and at the cement/steel interface. Use of atomistic simulations imply that these polymers have good wetting properties on the steel surfaces. Analysis of the interactions between steel/polymer and cement/polymer show that they are complementary, resulting in a wider range of bonding patterns. Cracks are likely to expose under-coordinated sites that result in more bonding interactions, which agrees well with the permeability measurements showing high degree of healed cracks and healed (cement-steel) interfacial gaps together with an overall increased in structural integrity of these advanced polymer-cement composite materials.
Rod, Kenton A.↗
Vacuum-assisted extrusion to reduce internal porosity in large-format additive manufacturing
Large-scale 3D printing of polymer composite structures has gained popularity and seen extensive use over the last decade. Much of the research related to improving the mechanical properties of 3D-printed parts has focused on exploring new materials and optimizing print parameters to improve geometric control and minimize voids between printed beads. However, porosity at the microstructural level (within the printed bead) has been much less studied although it is almost universally observed at levels of 4 %-10 % when using fiber reinforced materials. This study introduces a vacuum-assist approach that minimizes internal porosity by removing ambient air from the interstitial space between pellets in the hopper and acts as a negative pressure vent for gases that evolve during the initial stages of single-screw extrusion. Vacuum-assisted extrusion was able to reduce porosity below 2 % across a wide range of processing parameters, moisture content, fiber reinforcements, and printing platforms. Specifically, when printing on a large-format extruder (Strangpresse Model-30), the vacuum-assisted extrusion reduced internal porosity by 35–75 % compared to conventional non-vacuum extrusion, and only pores with length scale > 2 microns are affected. The success of this approach prompted the design of a patent-pending continuous vacuum hopper relevant for large-scale 3D printing on commercial systems.
36 MATERIALS SCIENCE↗
Polymer Network Formation in Epoxy/Acrylate Dual-Cure Thermoset Resins for Direct Ink Write Additive Manufacturing.
Abstract not provided.
Appelhans, Leah↗
Electronic and Spintronic Open-Shell Macromolecules, Quo Vadis ?
Open-shell macromolecules (i.e., polymers containing radical sites either along their backbones or at the pendant sites of repeat units) have attracted significant attention owing to their intriguing chemical and physical (e.g., redox, optoelectronic, and magnetic) properties, and they have been proposed and/or implemented in a wide range of potential applications (e.g., energy storage devices, electronic systems, and spintronic modules). These successes span multiple disciplines that range from advanced macromolecular chemistry through nanoscale structural characterization and on to next-generation solid-state physics and the associated devices. In turn, this has allowed different scientific communities to expand the palette of radical-containing polymers relatively quickly. However, critical gaps remain on many fronts, especially regarding the elucidation of key structure–property–function relationships that govern the underlying electrochemical, optoelectronic, and spin phenomena in these materials systems. Here, we highlight vital developments in the history of open-shell macromolecules to explain the current state of the art in the field. Moreover, we provide a critical review of the successes and bring forward open opportunities that, if solved, could propel this class of materials in a meaningful manner. Finally, we provide an outlook to address where it seems most likely that open-shell macromolecules will go in the coming years. Furthermore, our considered view is that the future of radical-containing polymers is extremely bright and the addition of talented researchers with diverse skills to the field will allow these materials and their end-use devices to have a positive impact on the global science and technology enterprise in a relatively rapid manner.
36 MATERIALS SCIENCE↗
Update 1.1 to “pysimm: A python package for simulation of molecular systems”, (PII: S2352711016300395)
This update of the pysimm application programming interface, pysimm 1.1, provides both infrastructural as well as functional updates. Moreover, improvements to the random walk application that allow it to construct polymers with controlled tacticity are highlighted. Additions to the forcefield module include an update to enable working with the family of CHARMM forcefields and automated typing with the CHARMM generalized forcefield (CGenFF). Finally, new detailed examples demonstrating new features are also provided.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Undoped Polyaniline/Surfactant Complex for the Corrosion Prevention
Due to the strict regulations on the usage of heavy metals as the additives in the coating industries, the search for effective organic corrosion inhibitors in replace of those metal additives has become essential. Electrically conducting polymers have been shown to be effective for corrosion prevention but the poor solubility of these intractable polymers has been a problem. We have explored a polyaniline/4-dodecylphenol complex (PANi/DDPh) to improve the dissolution and it has been shown to be an effective organic corrosion inhibitor. With the surfactant, DDPh, PANi could be diluted into the coatings and the properties of the coatings were affected. Emeraldine base (EB) form of PANi was also found to be oxidized by the hardener. The oxidized form of polyaniline provides improved corrosion protection of metals than that of emeraldine base since the value of the standard electrode potential for the oxidized form of PANi is higher than that of EB. Additionally, the surfactant improves the wet adhesion property between the coating and the metal surface.
Liu, Lo-Min↗
Development of the Advanced Regolith Ground Operations (ARGO) Test Bed – A Robotic Excavation and Construction Test Facility with Simulated Lunar Environments
NASA’s Artemis Program is working towards developing a sustained presence on the Moon and eventually Mars. To achieve this goal, robotic excavation, site preparation and construction technologies are under development to establish the capability to construct infrastructure such as launch/landing pads and radiation protection shelters. Technologies must be proven in simulated Lunar conditions prior to surface demonstration missions. To that end, the Relevant Additive Construction Technology (REACT) Announcement of Collaboration Opportunities (ACO) project with AI Space Factory and the NASA Kennedy Space Center’s (KSC) Granular Mechanics and Regolith Operations Laboratory (a.k.a. Swamp Works) has developed the Advanced Regolith Ground Operations (ARGO) Test Bed. ARGO includes a ~1.5m x 1.5m x 1.2m (~5x5x4ft) vacuum chamber, cryogenically cooled thermal shroud, 3-axis robotic positioning system, and regolith bin. For the REACT project, a pellet extruder, feed hopper, and heated 600mm x 600mm (23.6x23.6in) build plate have been installed on ARGO to advance the Technology Readiness Level (TRL) of regolith-polymer composite Fused Deposition Modeling (FDM) additive construction systems, processes, and materials. This paper will focus on the design and operational characteristics of the ARGO Test Bed with pellet extruder.
regolith↗
Development of the Advanced Regolith Ground Operations (ARGO) Test Bed: A Robotic Excavation and Construction Test Facility with Simulated Lunar Environments
NASA’s Artemis Program is working towards developing a sustained presence on the Moon and eventually Mars. To achieve this goal, robotic excavation, site preparation and construction technologies are under development to establish the capability to construct infrastructure such as launch/landing pads and radiation protection shelters. Technologies must be proven in simulated Lunar conditions prior to surface demonstration missions. To that end, the Relevant Additive Construction Technology (REACT) Announcement of Collaboration Opportunities (ACO) project with AI Space Factory and the NASA Kennedy Space Center’s (KSC) Granular Mechanics and Regolith Operations Laboratory (a.k.a. Swamp Works) has developed the Advanced Regolith Ground Operations (ARGO) Test Bed. ARGO includes a ~1.5m x 1.5m x 1.2m (~5x5x4ft) vacuum chamber, cryogenically cooled thermal shroud, 3-axis robotic positioning system, and regolith bin. For the REACT project, a pellet extruder, feed hopper, and heated 600mm x 600mm (23.6x23.6in) build plate have been installed on ARGO to advance the Technology Readiness Level (TRL) of regolith-polymer composite Fused Deposition Modeling (FDM) additive construction systems, processes, and materials. This paper will focus on the design and operational characteristics of the ARGO Test Bed with pellet extruder.
regolith↗
Selection, Production and Properties of Regolith Polymer Composite for Lunar Construction
NASA’s Artemis program has the goal of creating a sustained lunar presence to provide unprecedented opportunities for scientific discovery and to ensure industry’s access to the unlimited resources and commercial potential in space. To achieve this goal, NASA must incrementally develop and expand its capabilities beyond the short lunar stays of the Apollo program to a robust continued presence with infrastructure and equipment to reduce mission risk. Kennedy Space Center’s Granular Mechanics and Regolith Operations laboratory (a.k.a. Swamp Works) has partnered with SpaceFactory and LERA Consulting Structural Engineers to develop the architectural and structural design of a robotically constructable unpressurized shelter. The shelter, called Lunar Infrastructure Asset (LINA), is designed to protect astronauts and surface assets from radiation, meteoroid impact, thermal gradients, and to withstand moonquakes. A Fused Granular Fabrication (FGF) construction process using regolith polymer composites was developed. The construction system and associated print parameters are discussed along with the environmental simulation equipment and a summary of test conditions. Test samples were printed in dirty thermal vacuum conditions (~10-3 torr, ~-200 °C,) and subscale versions of LINA were printed on a regolith simulant substrate in vacuum (~10-4 torr). Full scale LINA design optimization, simulation, and construction concept of operations are discussed.
lunar infrastructure↗
Application of Regolith Polymer Composite Fused Granular Fabrication Construction in Simulated Lunar Conditions
NASA’s Artemis program has the goal of creating a sustained lunar presence to provide unprecedented opportunities for scientific discovery and to ensure industry’s access to the unlimited resources and commercial potential in space. To achieve this goal, NASA must incrementally develop and expand its capabilities beyond the short lunar stays of the Apollo program to a robust continued presence with infrastructure and equipment to reduce mission risk. Kennedy Space Center’s Granular Mechanics and Regolith Operations laboratory (a.k.a. Swamp Works) has partnered with SpaceFactory and LERA Consulting Structural Engineers to develop the architectural and structural design of a robotically constructable unpressurized shelter. The shelter, called Lunar Infrastructure Asset (LINA), is designed to protect astronauts and surface assets from radiation, meteoroid impact, thermal gradients, and to withstand moonquakes. A Fused Granular Fabrication (FGF) construction process using regolith polymer composites was developed. The construction system and associated print parameters are discussed along with the environmental simulation equipment and a summary of test conditions. Test samples were printed in dirty thermal vacuum conditions (~10-3 torr, ~-200 °C,) and subscale versions of LINA were printed on a regolith simulant substrate in vacuum (~10-4 torr). Full scale LINA design optimization, simulation, and construction concept of operations are discussed.
lunar infrastructure↗
Functional silicon crosslinks in conjugated polymer networks
The first conjugated polymers with functional Si–Si crosslinks are reported. In addition to complete structural characterization using solid-state NMR techniques, the electronic structure of the polymers are supported by electrochemical studies.
Wentz, Kelsie E. [Department of Chemistry, Johns H↗