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A combined experimental and theoretical study has been carried out on the wetting and reactivity of water-lean carbon capture solvents on the surface of common column packing materials. Paradoxically, these solvents are found to be equally able to wet hydrophobic and hydrophilic surfaces. The solvents are amphiphilic and can adapt to any interfacial environment, owing to their inherent heterogeneous (nonionic/ionic) molecular structure. Ab initio molecular dynamics indicates that these structures enable the formation of a strong adlayer on the surface of hydrophilic surfaces like oxidized steel which promotes solvent decomposition akin to hydrolysis from surface oxides and hydroxides. This decomposition passivates the surface, making it effectively hydrophobic, and the decomposed solvent promotes leaching of the iron into the bulk fluid. This study links the wetting behavior to the observed corrosion of the steels by decomposition of solvent at steel interfaces. The overall affect is strongly dependent on the chemical composition of the solvent in that amines are stable, whereas imines and alcohols are not. Moreover, plastic packing shows little to no solvent degradation, but an equal degree of wetting.
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http://dx.doi.org/10.1002/cssc.202101350 | DOI Listing |
ACS Omega
June 2025
Chemical Sciences Division, Physical Sciences Directory, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, United States.
Molecular-level insights into reactive separations are crucial for the design of new conversion pathways of carbon dioxide (CO). This work explores a postulated pathway that directs CO to undergo inverse-electron-demand Diels-Alder reactions to produce heterocycles using the CO chemically fixed on water-lean solvent molecules. Density functional theory calculations are applied to evaluate the lowest unoccupied molecular orbital (LUMO) energies of three types of reactants (1,3-butadiene, 1,3-cyclohexadiene, and 1,2,4,5-tetrazine) with various functional substituents.
View Article and Find Full Text PDFInt J Biol Macromol
January 2025
Academy of Scientific and Innovative Research (AcSIR), Ghaziabad 201002, Uttar Pradesh, India; Centre for Analysis, Testing, Evaluation & Reporting Services (CATERS), CSIR-Central Leather Research Institute (CSIR-CLRI), Adyar, Chennai 600020, Tamil Nadu, India.
Existing polystyrenic and polyolefinic packaging foams are non-biodegradable, and persist in the environment for hundreds of years. Gelatin foams are an interesting alternative, given their biodegradability, biocompatibility, solution-based processability, low cost, and non-toxicity. However, current methods for preparing gelatin foams, such as freeze-drying, microfluidic foaming, and batch foaming, are not suitable for high-volume production.
View Article and Find Full Text PDFACS Omega
November 2024
Pacific Northest National Laboratory, 902 Battelle Blvd, Richland, Washington 99352, United States.
Here, we demonstrate an integrated semibatch simultaneous CO capture and conversion to methanol process using a water-lean solvent, -(2-ethoxyethyl)-3-morpholinopropan-1-amine (2-EEMPA), that serves as both the capture solvent and subsequent condensed-phase medium for the catalytic hydrogenation of CO. CO is captured from simulated coal-derived flue gas at a target >90 mol % capture efficiency, with a continuous slipstream of CO-rich solvent delivered to a fixed bed catalytic reactor for catalytic hydrogenation. A single-pass conversion rate >60 C-mol % and selectivity >80 C-mol % are observed for methanol at relatively low temperatures (<200 °C) in the condensed phase of the carbon capture solvent.
View Article and Find Full Text PDFNat Chem
July 2024
Pacific Northwest National Laboratory, Richland, WA, USA.
Carbon capture, utilization and storage is a key yet cost-intensive technology for the fight against climate change. Single-component water-lean solvents have emerged as promising materials for post-combustion CO capture, but little is known regarding their mechanism of action. Here we present a combined experimental and modelling study of single-component water-lean solvents, and we find that CO capture is accompanied by the self-assembly of reverse-micelle-like tetrameric clusters in solution.
View Article and Find Full Text PDFAnal Chem
October 2023
Pacific Northwest National Laboratory, Richland, Washington 99352, United States.
Carbon capture represents a key pathway to meeting climate change mitigation goals. Powerful next-generation solvent-based capture processes are under development by many researchers, but optimization and testing would be significantly aided by integrating in situ monitoring capability. Further, real-time water analysis in water-lean solvents offers the potential to maintain their water balance in operation.
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