Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Aromatics”

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 1,333 records · Page 74
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Method for alcohol upgrading to jet, diesel, gasoline, and valuable co-products

A method for converting an alcohol to a jet-diesel hydrocarbon fraction, comprising contacting the alcohol with a pillared two-dimensional zeolite catalyst at a temperature of at least 200° C. and up to 500° C. to convert the alcohol to hydrocarbons comprising: (a) a first mixed olefin fraction containing a mixture of C 2 -C 5 olefins; (b) a first paraffin fraction containing C 3 -C 5 paraffins; and (c) a gasoline fraction containing C 6 + hydrocarbons; and the conversion of the alcohol is energy neutral or exothermic. The first mixed olefin fraction may be subjected to an oligomerization process to result in a second paraffin fraction containing C 3 -C 6 paraffins along with a C 7 + partially unsaturated fraction, and the first and second paraffin fractions combined into a total C 3 -C 6 paraffin fraction, which can in turn be subjected to a dehydrogenation or aromatization process with hydrogen gas as byproduct, and the hydrogen gas recycled for use in producing the jet-diesel fraction.

Li, Zhenglong↗
DOE OSTI2022

Method and system embodiments for converting ethanol to para-xylene and ortho-xylene

Disclosed herein are embodiments of a method and system for converting ethanol to para-xylene. The method also provides a pathway to produce terephthalic acid from biomass-based feedstocks. In some embodiments, the disclosed method produces p-xylene with high selectivity over other aromatics typically produced in the conversion of ethanol to xylenes, such as m-xylene, ethyl benzene, benzene, toluene, and the like. And, in some embodiments, the method facilitates the ability to use ortho/para mixtures of methylbenzyaldehyde for preparing ortho/para xylene product mixtures that are amendable to fractionation to separate the para- and ortho-xylene products thereby providing a pure feedstock of para-xylene that can be used to form terephthalic anhydride and a pure feedstock of ortho-xylene that can be used for other purposes, such as phthalic anhydride.

Ramasamy, Karthikeyan K.↗
DOE OSTI2022

Alkaline Oxidation of Lignin Using Reversibly-Soluble Bases

Production of oxidized aromatic monomers from lignin has been an intriguing process for decades, but widespread implementation has been inhibited by the high hydroxide:lignin ratios required for significant aldehyde yields. The high hydroxide loading in most scenarios renders the process uneconomical even for high-value products such as vanillin. In this work, we explore alkaline oxidation of a lignin-rich enzymatic hydrolysis residue isolated from corn stover, using alkaline earth metal hydroxides, such as Sr(OH)2 and Ba(OH)2 as base promoters. These materials are soluble at reaction temperature, but mostly insoluble at room temperature, allowing recovery and reuse by simple filtration. We show that monomer yields and profiles using these bases is similar to that obtained using NaOH as base, and that Sr(OH)2 can be recovered in yields above 90%. Preliminary TEA and LCA suggest that replacing NaOH with Sr(OH)2 can decrease monomer production costs by 40% and decrease global warming potential in lignin depolymerization by 30%, enabling a more economical and sustainable process.

BIOMASS FUELS↗
DOE OSTI2022

Alkaline Oxidation of Lignin Using Reversibly-Soluble Bases

Production of oxidized aromatic monomers from lignin has been an intriguing process for decades, but widespread implementation has been inhibited by the high hydroxide:lignin ratios required for significant aldehyde yields. The high hydroxide loading in most scenarios renders the process uneconomical even for high-value products such as vanillin. In this work, we explore alkaline oxidation of a lignin-rich enzymatic hydrolysis residue isolated from corn stover, using alkaline earth metal hydroxides, such as Sr(OH)2 and Ba(OH)2 as base promoters. These materials are soluble at reaction temperature, but mostly insoluble at room temperature, allowing recovery and reuse by simple filtration. We show that monomer yields and profiles using these bases is similar to that obtained using NaOH as base, and that Sr(OH)2 can be recovered in yields above 90%. Preliminary TEA and LCA suggest that replacing NaOH with Sr(OH)2 can decrease monomer production costs by 40% and decrease global warming potential in lignin depolymerization by 30%, enabling a more economical and sustainable process.

alkaline oxidation↗
DOE OSTI2022

Synthesis and Analysis of Performance-Advantaged Bioproducts

Performance-advantaged bioproducts (PABPs) are "novel products where the bio-based product does not resemble an existing petroleum-derived molecule but offers a performance advantage over existing products" (Fitzgerald, Bailey 2018). PABPs are an exciting area with near-term potential to accelerate the bioeconomy. We focus on synthesis, characterization, and economic and sustainability analyses for PABPs, aiming to leverage the inherent chemical functionality of molecules from carbohydrates and lignin via chemical and biological transformations. We collaborate with other BETO projects to source new molecules. Our work is integrated with the Inverse Design project, which provides computational predictions for PABPs and first principles-based results to explain observed properties. Primary outcomes include 1) a Nature Reviews Materials paper that establishes PABP design principles, 2) PA nylons from beta-ketoadipic acid, 3) new recyclable thermosets from bio-aromatic amines, 4) new PA plasticizers that are less toxic, and 5) the experimental validation of a machine learning tool, PolyML, from the Inverse Design project. Going forward, we are working towards an integrated framework to dramatically narrow PABP design space and a materials flow analysis of commodity chemicals as a benchmark for PABPs. Our main challenges are in the sourcing of new molecules that are not commercially available and the need for comprehensive characterizations and scale-up for technology transfer.

BIOMASS FUELS↗
DOE OSTI2022

Lignin Utilization

Valorization of lignin has massive potential economic and sustainability benefits for the lignocellulosic biorefinery. However, challenges remain to realize lignin conversion to coproducts, especially related to selective, high yield depolymerization to monomers and quantitative analytics on lignin, the latter of which is critical for accurate process modeling. Towards these goals, the Lignin Utilization project focuses on catalytic lignin deconstruction chemistries for C-O and C-C bond cleavage, development of analytical chemistry techniques to quantitatively characterize lignin, and syntheses of requisite model compounds for understanding lignin transformations. This work is done with and supports multiple BETO projects, including the Biological Lignin Valorization (BLV) project, the Separations Consortium, and others. Outcomes of Lignin Utilization for analytics and synthesis include 1) development of new mass spectrometry (MS) methods to characterize lignin dimers/oligomers in process streams, 2) deployment of a computational-experimental tool (with Biochemical Process Modeling and Simulation) to identify lignin-derived compounds with high fidelity from MS, and 3) delivery of >40 unique compounds. From a catalysis perspective, we have developed new oxidative approaches to cleave C-O and C-C bonds and produce >50% bio-available aromatic monomers for biological funneling for the BLV project and have developed recoverable bases for base-catalyzed deconstruction of lignin.

BIOMASS FUELS↗
DOE OSTI2022

In vitro methods of chemical conversion using non-stereospecific glutathione lyases

Enzymes for depolymerizing lignin. The enzymes include dehydrogenases, β-etherases, and glutathione lyases. The dehydrogenases can comprise one or more or LigD, LigO, LigN, and LigL. The β-etherases can comprise one or more of LigE, LigF, LigP, and BaeA. The glutathione lyases can comprise any one or more of LigG and a number of non-stereospecific, optionally recombinant glutathione lyases derived from Sphingobium sp. SYK-6, Novosphingobium aromaticivorans, Escherichia coli, Streptococcus sanguinis, Phanerochaete chrysosporium , and other microorganisms. The enzymes can be combined in compositions and/or used in methods of processing lignin or other aromatic compounds in vitro.

Donohue, Timothy James↗
DOE OSTI2023

2.3.4.501 - Synthesis and Analysis of Performance-Advantaged Bioproducts

This project focuses on the synthesis and analysis of performance-advantaged bioproducts (PABPs). We have established collaborations with other BETO-funded projects and academic and industrial collaborators to source new molecules that have promising manufacturing pathways and that could be serve as performance-advantaged biochemicals or biopolymers. We conduct synthesis and characterization of biochemicals and biopolymers alongside techno-economic analysis and life cycle assessment to estimate their cost and environmental impacts relative to incumbent materials. As part of the project, Profs. Linda Broadbelt and Brent Shanks are developing computational pathway prediction tools to identify optimal production pathways for bio-based compounds via biological and chemo-catalytic transformations. When coupled to the polyID tool from the Inverse Design project, these tools will ultimately enable a narrowing of design space for PABPs. From FY21-FY23, we described a framework for benchmarking PAPBs, estimated the energy and GHG emissions for commodity organic chemicals, developed performance-advantaged nylons and polyesters from beta-ketoadipic acid, and produced lignin-based plasticizers. We have shown that aromatic amines can be used in performance thermosets and that polyhydroxyalkanoates with crosslinked side chains can exhibit rubber-like properties, along with repair and degradability. We are working actively with industry partners on scale-up and validation of multiple PABPs.

BIOMASS FUELS↗
DOE OSTI2022

Mesoporous tungsten oxide composition

The present disclosure relates to tungsten oxide composition. Specifically, the present disclosure relates to mesoporous tungsten oxide composition that is active for multiple reactions, including aromatic alkylation, alkene coupling, alkene cyclization, alkyne oxidation, alcohol dehydrogenation reactions.

Suib, Steven L.↗
DOE OSTI2022

Poly(aryl piperidinium) polymers including those with stable cationic pendant groups for use as anion exchange membranes and ionomers

Poly(aryl piperidinium) polymers with pendant cationic groups are provided which have an alkaline-stable cation, piperidinium, introduced into a rigid aromatic polymer backbone free of ether bonds. Hydroxide exchange membranes or hydroxide exchange ionomers formed from these polymers exhibit superior chemical stability, hydroxide conductivity, decreased water uptake, good solubility in selected solvents, and improved mechanical properties in an ambient dry state as compared to conventional hydroxide exchange membranes or ionomers. Hydroxide exchange membrane fuel cells comprising the poly(aryl piperidinium) polymers with pendant cationic groups exhibit enhanced performance and durability at relatively high temperatures.

Yan, Yushan↗
DOE OSTI2023

Functionalized porous organic polymers as uranium nano-traps for efficient uranium extraction

Compositions are provided for efficient uranium extraction, for example from wastewater, seawater, or other water sources. The compositions can include a functionalized porous organic polymer functionalized with one or more uranium binding moieties, e.g. having a plurality of amidoxime or amidrazone groups covalently attached thereto. The compositions can include covalent organic frameworks, porous aromatic frameworks, and various porous organic polymers, especially those having a hierarchical pore size distribution over a range of pore sizes. The compositions can have functional groups such as amidoxime or an amidrazone covalently attached thereto. The hierarchical pore size distribution can be determined based upon at least 60% of the pore sizes in the range of pore sizes having a pore volume of at least 0.01 cm 3 g −1 in the pore size distribution at 77 K. Methods of making the compositions and methods of using the compositions are also provided.

Ma, Shengqian↗
DOE OSTI2023

Mesoporous metal titanates as multifunctional catalysts

The present disclosure relates to mesoporous metal titanate materials composition. Specifically, the present disclosure relates to a mesoporous metal titanate material composition that is active for multiple reactions, including aromatic alkylation, alkene coupling, alkene cyclization, alkyne oxidation, alcohol dehydrogenation reactions.

Suib, Steven L.↗
DOE OSTI2023

Catalysts and process for liquid hydrocarbon fuel production

The present invention provides a novel process and system in which a mixture of carbon monoxide and hydrogen synthesis gas, or syngas, is converted into hydrocarbon mixtures composed of high quality gasoline components, aromatic compounds, and lower molecular weight gaseous olefins in one reactor or step. The invention utilizes a novel molybdenum-zeolite catalyst in high pressure hydrogen for conversion, as well as a novel rhenium-zeolite catalyst in place of the molybdenum-zeolite catalyst, and provides for use of the novel catalysts in the process and system of the invention.

White, Mark G.↗
DOE OSTI2023

Coating compositions, elastic barrier coatings formed therefrom, and methods of applying such coatings

A coating composition includes an aqueous carrier medium, at least a first polymer, and polymeric core-shell particles dispersed in the aqueous carrier medium. The first polymer includes: (i) a barrier segment having aromatic groups and urethane linkages, urea linkages, or a combination thereof; and (ii) an elastomeric segment having a glass transition temperature of less than 0° C. The barrier segment can make up at least 30% of the first polymer, based on the total solids weight of the first polymer.

Martin, Roxalana L.↗
DOE OSTI2023

Polymers having stable cationic pendant groups for use as anion exchange membranes

Poly(aryl alkylene) polymers or poly(aryl-crown ether-alkylene) polymers with pendant cationic groups are provided which have an alkaline-stable cation, such as imidazolium, introduced into a rigid aromatic polymer backbone free of ether bonds. Hydroxide exchange membranes or hydroxide exchange ionomers formed from these polymers exhibit superior chemical stability, hydroxide conductivity, decreased water uptake, good solubility in selected solvents, and improved mechanical properties in an ambient dry state as compared to conventional hydroxide exchange membranes or ionomers. Hydroxide exchange membrane fuel cells and hydroxide exchange membrane electrolyzers comprising the poly(aryl alkylene) polymers or poly(aryl-crown ether-alkylene) polymers with pendant cationic groups exhibit enhanced performance and durability at relatively high temperatures.

Yan, Yushan↗
DOE OSTI2023

Method and system embodiments for converting ethanol to para-xylene and ortho-xylene

Disclosed herein are embodiments of a method and system for converting ethanol to para-xylene. The method also provides a pathway to produce terephthalic acid from biomass-based feedstocks. In some embodiments, the disclosed method produces p-xylene with high selectivity over other aromatics typically produced in the conversion of ethanol to xylenes, such as m-xylene, ethyl benzene, benzene, toluene, and the like. And, in some embodiments, the method facilitates the ability to use ortho/para mixtures of methylbenzyaldehyde for preparing ortho/para xylene product mixtures that are amendable to fractionation to separate the para- and ortho-xylene products thereby providing a pure feedstock of para-xylene that can be used to form terephthalic anhydride and a pure feedstock of ortho-xylene that can be used for other purposes, such as phthalic anhydride.

Ramasamy, Karthikeyan Kallupalayam↗
DOE OSTI2024

Quaternized polyaromatics for use in electrochemical devices

Disclosed herein in various embodiments are aryl-ether free polyaromatic polymers based on random copolymer architecture with two, three, or more aromatic ring components and methods of preparing those polymers. The polymers of the present disclosure can be used as ion exchange membranes, e.g., as anion exchange membranes, and ionomer binders in alkaline electrochemical devices.

Bae, Chulsung↗