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N2SiF4 is Cyanogen Chloride-derived structured and crystallizes in the orthorhombic Immm space group. The structure is zero-dimensional and consists of twelve ammonia molecules and six silane, tetrafluoro- molecules.
SiH8(CBr)4 is Silicon tetrafluoride-derived structured and crystallizes in the tetragonal P-42_1c space group. The structure is zero-dimensional and consists of two tetrakis(bromomethyl)silane molecules. Si4+ is bonded in a tetrahedral geometry to four equivalent C2- atoms. All Si–C bond lengths are 1.89 Å. C2- is bonded to one Si4+, two H1+, and one Br1- atom to form distorted corner-sharing CSiH2Br tetrahedra. There is one shorter (1.09 Å) and one longer (1.10 Å) C–H bond length. The C–Br bond length is 1.97 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one C2- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one C2- atom. Br1- is bonded in a single-bond geometry to one C2- atom.
This report summarizes the current actives in FY21 related to the effort by Sandia National Laboratories to identify and test coating materials for the prevention, mitigation, and repair of spent nuclear fuel dry storage canisters against potential chloride-induced stress corrosion cracking. This work follows up on the details provided in Sandia National Laboratories FY20 report on the same topic, which provided a detailed description of the specific coating properties desired for application and implementation on spent nuclear fuel canisters, as well as provided detail into several different coatings and their applicability to coat spent nuclear fuel canisters. In FY21, Sandia National Laboratories has engaged with private industry to create a Memorandum of Understanding and established a collaborative R&D program building off the analytical and laboratory capabilities at Sandia National Laboratories and the material design and synthesis capabilities of private industry. The resulting Memorandum of Understanding included four companies to date (Oxford Performance Materials, White Horse R&D, Luna Innovations, and Flora Coating) proposing six different coating technologies (polyetherketoneketone, modified polyimide/polyurea, modified phenolic resin, silane-based polyurethane hybrid with and without a Znrich primer, and a quasi-ceramic sol-gel polyurethane hybrid) to be tested, evaluated, and optimized for their potential use for this application. This report provides a detailed description of each of the coating systems proposed by the participating industry partners. It also provides a description of the planned experimental actives to be performed by Sandia National Laboratories including physical tests, electrochemical tests, and characterization methods. These analyses will be used to identify specific ways to further improve coating technologies toward their application and implementation on spent nuclear fuel canisters. In FY21, Sandia National Laboratories began baseline testing of the base metal material in according with activities of the Memorandum of Understanding. In FY22, Sandia National Laboratories will receive coated coupons from each of the participating industry partners and begin characterization, physical, and electrochemical testing following the test plan described herein.
This report summarizes the activities performed by Sandia National Laboratories in FY22 to identify and test coating materials for the prevention, mitigation, and/or repair of potential chloride-induced stress corrosion cracking in spent nuclear fuel dry storage canisters. This work continues efforts by Sandia National Laboratories that are summarized in previous reports in FY20 and FY21 on the same topic. The previous work detailed the specific coating properties desired for application and implementation to spent nuclear fuel canisters (FY20) and identified several potential coatings for evaluation (FY21). In FY22, Sandia National Laboratories, in collaboration with four industry partners through a Memorandum of Understanding, started evaluating the physical, mechanical, and corrosion-resistance properties of 6 different coating systems (11 total coating variants) to develop a baseline understanding of the viability of each coating type for use to prevent, mitigate, and/or repair potential stress corrosion on cracking on spent nuclear fuel canisters. This collaborative R&D program leverages the analytical and laboratory capabilities at Sandia National Laboratories and the material design and synthesis capabilities of the industry collaborators. The coating systems include organic (polyetherketoneketone, modified polyimide/polyurea, modified phenolic resin), organic/inorganic ceramic hybrids (silane-based polyurethane hybrid and a quasi-ceramic sol-gel polyurethane hybrid), and hybrid systems in conjuncture with a Zn-rich primer. These coatings were applied to stainless steel coupons (the same coupons were supplied to all vendors by SNL for direct comparison) and have undergone several physical, mechanical, and electrochemical tests. The results and implications of these tests are summarized in this report. These analyses will be used to identify the most effective coatings for potential use on spent nuclear fuel dry storage canisters, and also to identify specific needs for further optimization of coating technologies for their application on spent nuclear fuel canisters. In FY22, Sandia National Laboratories performed baseline testing and atmospheric exposure tests of the coating samples supplied by the vendors in accordance with the scope of work defined in the Memorandum of Understanding. In FY23, Sandia National Laboratories will continue evaluating coating performance with a focus on thermal and radiolytic stability.
This report summarizes the activities performed by Sandia National Laboratories in FY23 to identify and test coating materials for the prevention, mitigation, and/or repair of potential chloride-induced stress corrosion cracking in spent nuclear fuel dry storage canisters. This work continues efforts by Sandia National Laboratories that are summarized in previous reports from FY20 through FY22 on the same topic. In FY23, Sandia National Laboratories, in collaboration with five industry partners through a memorandum of understanding, evaluated the physical, mechanical, and corrosion-resistance properties of eight different coating systems. The evaluation included thermal and radiation environments relevant to various time periods of storage for spent nuclear fuel canisters. The coating systems include polymeric (polyetherketoneketone, modified polyimide/polyurea, modified phenolic resin, epoxy), organic/inorganic ceramic hybrids (silane-based polyurethane hybrid and a quasi-ceramic sol-gel polyurethane hybrid), and coatings utilizing a Zn-rich primer applied to stainless steel coupons. The results and implications of these tests are summarized in this report. These analyses will be used to identify the most effective coatings for potential use on spent nuclear fuel dry storage canisters and to identify specific needs for further optimization of coating technologies for application on spent nuclear fuel canisters.
Direct air capture (DAC) has received significant attention this decade as a viable solution to limit global warming, although large-scale deployment is currently not economically feasible. To reach the ambitious cost target set by the U.S. of $100/ton CO2 captured and stored, significant improvements must be made to sorbent lifetime and capacity. Aminosilanes grafted onto silica supports are promising candidates for deployment in DAC systems due to their relatively high oxidative stability and low regeneration temperature. Despite myriad advancements in the field, there still exists a fundamental knowledge gap relating sorbent structure to performance. In this work, we grafted various aminosilanes onto the highly porous silica SBA-15 and characterized both oxidative stability and CO2 capacity. Material properties systematically investigated included amine moiety (primary vs. secondary), silane group structure, number of linkages to the silica support, and co-addition of impregnated amines (e.g., PEI), among others. A fixed bed system was used to execute accelerated degradation studies in the presence of humidity and varying temperatures to simulate realistic operating conditions. Atomistic simulations were combined with the experimental results to gain mechanistic insight, ultimately informing the design of next-generation materials
Each year, roughly 8 million tons of glass are landfilled in the United States. Vitriform3D, in collaboration with Oak Ridge National Laboratory through the Innovation Crossroads program, is developing an additive manufacturing approach to transform post-consumer glass into engineered stone building materials. A custom UV-curable binder jetting system was commissioned to enable recycled glass printing without energy-intensive oven curing. While this printer is still under development, the team pursued a parallel research track using ORNL equipment and a polyethyleneimine (PEI) binder. Printed parts were thermally post-cured and infiltrated with epoxy, with the resulting material exceeding fiber cement board performance. Silane treatment of the glass particles further improved glass–epoxy adhesion, yielding an additional 24% strength gain over the epoxy-glass composite, achieving nearly 3x the fiber cement benchmark. Ongoing research is focused on reducing epoxy content to improve cost and recycled content while retaining mechanical performance. This work demonstrates a scalable, low-carbon pathway to convert glass waste into high-value, locally produced construction materials.
Cage topology controlled at the nanometer length scale is expected to enable original functionalities, e.g., in catalysis and therapeutics. Cages are fundamental structural motifs of clathrates and their topological duals, Frank-Kasper phases, and are constituents of mesoporous silica frameworks. However, with one exception, they have not been synthesized as discrete particles. By varying reactant ratios of surfactant, oil, and silane, we report the discovery of 5(12)6(2) and 5(12)6(8) amorphous silica polyhedra, each coexisting with the previously identified 5(12) cage, using combined cryo-transmission electron microscopy (cryo-TEM) and single-particle reconstruction (SPR). Notably, the 5(12)6(8) polyhedron represents a topology not previously observed in mesoporous silica frameworks. Control over structural features is demonstrated, and insights into cage formation mechanisms are provided. Structural outcomes are summarized in a ternary morphology diagram alongside prior results, bridging serendipitous discovery and intentional design of silica cages displaying a level of control over silica polymerization rivaling nature.
Structural composites with metal inserts are gaining increasing interest enabling light weight design for energy efficiency, provide insulation, corrosion protection without compromising mechanical integrity. Such over molded metal-polymer composites show strong potential in many automotive and aerospace component parts, e.g. car bumper, chassis, door, brackets, fasteners, etc. Despite several advantages, metal-polymer dissimilar interface remains a weak spot in structural design, requiring further investigation to improve interfacial interlocking. The current work focuses on enhancing the metal-polymer adhesion between stainless steel inserts and polymer matrices (e.g. acrylonitrile butadiene styrene resin (ABS), and polyamide 66 (PA66) through surface treatment via chemical etching and mechanical roughening. In the chemical etching process, metal substrates were treated with aqua regia solution for different time intervals to evaluate surface roughness measured by water contact angle and morphology analysis. For mechanical roughening approach, metal inserts were subjected to blasting for surface abrasion. Treated samples were also functionalized with aminosilane coupling agent which showed successful grafting on the surface measured by water contact angle. Metal inserts with micro level surface roughness through etching exhibited significant 21% improvement in adhesion strength compared to untreated inserts; however, the effect of silane treatment on the interfacial strength was found to be highly matrix dependent.
Simultaneous fouling and pore wetting of the membrane during membrane distillation (MD) is a major concern. In this work, an electrospun bilayer membrane for enhancing fouling and wetting resistance has been developed for treating hydraulic fracture-produced water (PW) by MD. These PWs can contain over 200,000 ppm total dissolved solids, organic compounds and surfactants. The membrane consists of an omniphobic surface that faces the permeate stream and a hydrophilic surface that faces the feed stream. The omniphobic surface was decorated by growing nanoparticles, followed by silanization to lower the surface energy. An epoxied zwitterionic polymer was grafted onto the membrane surface that faces the feed stream to form a tight antifouling hydration layer. The membrane was challenged with an aqueous NaCl solution containing sodium dodecyl sulfate (SDS), an ampholyte and crude oil. In the presence of SDS and crude oil, the membrane was stable and displayed salt rejection (>99.9%). Further, the decrease was much less than the base polyvinylidene difluoride (PVDF) electrospun membrane. The membranes were also challenged with actual PW. Our results highlight the importance of tuning the properties of the membrane surface that faces the feed and permeate streams in order to maximize membrane stability, flux and salt rejection.
Primarily used as an encapsulant and soft adhesive, Sylgard 184 is an engineered, high-performance silicone polymer that has applications spanning microfluidics, microelectromechanical systems, mechanobiology, and protecting electronic and non-electronic devices and equipment. Despite its ubiquity, there are improvements to be considered, namely, decreasing its gel point at room temperature, understanding volatile gas products upon aging, and determining how material properties change over its lifespan. In this work, these aspects were investigated by incorporating well-defined compounds (the Ashby–Karstedt catalyst and tetrakis (dimethylsiloxy) silane) into Sylgard 184 to make modified formulations. As a result of these additions, the curing time at room temperature was accelerated, which allowed for Sylgard 184 to be useful within a much shorter time frame. Additionally, long-term thermal accelerated aging was performed on Sylgard 184 and its modifications in order to create predictive lifetime models for its volatile gas generation and material properties.
Encapsulated device including a photovoltaic cell and a composite film overlaying at least a portion of the photovoltaic cell, the composite film further including a substrate, a base (co)polymer layer on a major surface of the substrate, an oxide layer on the base (co)polymer layer, and a protective (co)polymer layer derived from a silane precursor compound on the oxide layer.
Natural soiling and the subsequent requisite cleaning of photovoltaic (PV) modules result in abrasion damage to the cover glass. The durability of the front glass has important economic consequences, including determining the use of anti-reflective and/or anti-soiling coatings as well as the method and frequency of operational maintenance (cleaning). Artificial linear brush abrasion using Nylon 6/12 bristles was therefore examined to explore the durability of representative PV first-surfaces, i.e., the surface of a module incident to direct solar radiation. Specimens examined include silane surface functionalized-, roughened (etched)-, porous silica-coated-, fluoropolymer-coated-, and ceramic (TiO2 or ZrO2/SiO2/ZrO2/SiO2)-coated-glass, which are compared to monolithic-poly(methyl methacrylate) and -glass coupons. Characterization methods used in this study include: optical microscopy, ultraviolet-visible-near-infrared (UV-VIS-NIR) spectroscopy, sessile drop goniometry, white-light interferometry, atomic force microscopy (AFM), and depth-profiling X-ray photoelectron spectroscopy (XPS). The corresponding characteristics examined include: surface morphology, transmittance (i.e., optical performance), surface energy (water contact angle), surface roughness, scratch width and depth, and chemical composition, respectively. The study here was performed to determine coating failure modes; identify characterization methods that can detect nascent failures; compare the durability of popular contemporary coating materials; identify their corresponding damage characteristics; and compare slurry and dry-dust abrasion. This study will also aid in developing an abrasion standard for the PV industry.
The present invention provides efficient processes for preparing brush polymers. In general, the process comprises three distinct reaction steps utilizing two separate catalysts. In the first step, the initiating compound comprising norbornene is contacted with a silane in the presence of a catalyst, thereby forming a silated intermediate. This silated intermediate is then contacted with a monomer in the presence of a catalyst via Group Transfer Polymerization (GTP). The resulting compound from GTP is contacted with a ring opening metathesis polymerization (ROMP) catalyst to prepare the brush polymer. Surprisingly, the brush polymers obtained from the above process are accessed in an efficient and rapid GTP methodology as compared to prior methods.
A promising and cost-effective phase change material (PCM) containing polyethylene glycol (PEG) 600, 800, and/or 1000 has been synthesized. It is shape stabilized using a sol-gel method and displays promising thermal properties. These properties make the PCMs good candidates for thermal batteries and other thermal energy storage applications in the building sector. However, PEG leakage is observed at elevated temperatures, and due to the hygroscopic nature of PEG, moisture ingress is also observed, which can have a significant effect on performance and durability. Thus, we have developed hydrophobic coatings to prevent PEG leakage and mitigate moisture ingress. The selected approach involves a secondary sol-gel process during which a thin layer formulated with hydrophobic precursors is deposited onto the surface of the PCM samples. Several coating formulations have been investigated, including formulations composed of tetraethyl orthosilicate (TEOS), diethoxy(dimethyl)silane (DEDMS), triethoxymethylsilane (TEMS), and n- octyltriethoxysilane (OTES). We find that this is effective at increasing hydrophobicity of the PCM substrates. It also decreases substrate leakage.
Compositions, methods, and articles of manufacture relating to a transparent/translucent insulating material formed by a hybrid silica gel composition made of porous silica particles joined with each other by silane crosslinking through a three dimensional silica network. In one embodiment, the hybrid silica gel includes small porous silica particles, and is made by a process that avoids energy intensive techniques.
This disclosure provides polyamine sorbent compositions for the separation of metals from aqueous solutions. The polyamine sorbent compositions comprise a silica support, an aminosilane bound to the silica support, an epoxysilane bound to the silica support, and a polyamine where the polyamine is chemically tethered onto a solid silica support through via the epoxysilane. The polyamine may be further stabilized within the bulk sorbent through hydrogen bonding interactions with the aminosilane. The sorbent compositions resist leaching by H 2 O in an aqueous stream containing heavy oxyanion-based (and other) metals and demonstrate stability over a pH range of 2-14. The sorbent compositions are useful for the separation of metals from aqueous solutions. The cationic heavy metals are captured by the co-existing amine groups (—NH 2 , —NH, —N) from the polymeric network while additional metal capture capacity is derived from the introduction of a secondary silane linker.
Here, we report the synthesis of five new examples of ladder cyclohexasilanes, possessing up to three consecutive fused rings and differing in relative ring fusion configuration and side chain structure. By coupling a 1,4-dipotassiooligosilyl dianion to a cyclohexasilane, we obtained bi- and tricyclic ladder cyclohexasilanes. Combined experimental and theoretical studies suggested that annulation could favor the cis configuration under kinetic control, while the trans configuration predominates under thermodynamic control. Computational studies show that with each additional ring in the trans-diastereomeric series, the predicted onset of light absorption shifts to longer wavelengths.