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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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Incorporation of Alkylamine into Metal-Organic Frameworks through a Brønsted Acid-Base Reaction for CO 2 Capture
A Brønsted acid-base reaction based method was employed to tether alkylamine into Cr-MIL-101-SO 3 H for CO 2 capture. A systematic optimization of the amine tethering process was also conducted to maximize the CO 2 uptake of the modified MOF. Under the optimal amine tethering condition, the obtained TAEA functionalized Cr-MIL-101-SO 3 H (Cr-MIL-101-SO 3 H-TAEA, TAEA = Tris(2-aminoethyl)amine) has cyclic CO 2 uptakes of 2.28 mmol/g -1 at 150 mbar and 40 °C, and 1.12 mmol/g -1 at 0.4 mbar and 20 °C. The low-cost starting materials and simple synthetic procedure of Cr-MIL-101-SO 3 H-TAEA all promise its advantages in large-scale production in practical applications.
A General Framework for Sensitivity-Based Optimal Control and State Estimation.
Abstract not provided.
CFD-DEM Modeling of Autothermal Pyrolysis of Corn Stover with a Coupled Particle- and Reactor-Scale Framework
Autothermal operation of fast pyrolysis is an efficient process-intensification technique wherein exothermic oxidation reactions are used to overcome the heat-transfer bottleneck of conventional pyrolysis. The development of accurate, reliable modeling toolsets is imperative to generating a deeper understanding of biomass autothermal pyrolysis systems to support scale-up and industrial deployment. This modeling effort describes the development of single-particle and reactor models which incorporate detailed reaction schemes and simultaneous exothermic oxidation reactions. The particle-scale model was parameterized for corn stover feedstock with particle morphology, density, ash content, and biopolymer composition, all of which impact the emergent conversion characteristics during pyrolysis. Results were then used to parameterize a reactor-scale autothermal pyrolysis model, which was developed using a coarse-grained computational fluid dynamic-discrete element method. The simulation results compared well with experimental results, with the predicted bio-oil, light gas, and biochar yield within 3.0 wt% of the experimental yields. Further analyses were performed to test the influence of equivalence ratio, biomass injection position, and particle size distribution on autothermal pyrolysis. The analysis of the physio-chemical properties of the fluid and solid phase inside the reactor and at the reactor outlet help reveal important process interactions of autothermal pyrolysis.
Metal-macrocyclic framework featuring adaptive cavity for precise palladium recognition
Not provided.
Three-scale multiphysics finite element framework (FE 3 ) modelling fault reactivation
Not provided.
Graph-based deep learning frameworks for molecules and solid-state materials
Not provided.
Framework design for weight-average molecular weight control in semi-batch polymerization
Not Available
Shuffled Complex-Self Adaptive Hybrid EvoLution (SC-SAHEL) optimization framework
Not Available
Effect of ionic liquid on sugar-aromatic separation selectivity by metal-organic framework NU-1000 in aqueous solution
Not provided.