Novel Ionomer and Polymer-Electrolyte Membrane Development For Solar-Energy-Driven Carbon Dioxide Conversion
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36 MATERIALS SCIENCE↗
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Electrons to Molecules by Engineering and Evolution: Biological Upgrading of Formate by Cupriavidus necator
Waste carbon from industrial point sources can be captured, stored, and/or transformed using electrochemical conversion or "electrons to molecules" technologies using low-cost renewable electricity. One such process involves electrocatalytic reduction of CO2 to generate formate/formic acid, a C1 carboxylic acid. Formate is a promising potential feedstock for microbial upgrading, as it is water soluble and can be consumed as the sole source of carbon and energy by some microbial species, such as the soil bacterium Cupriavidus necator. Here we will present progress toward improving C. necator as a host for biological conversion of formate to value-added products. Using the power of adaptive laboratory evolution, we were able to isolate mutants of C. necator with significantly faster growth rates on formate. We then sequenced the genomes of these strains, elucidated the metabolic role of the mutations we found, and then used these insights to build rationally engineered strains that outperform even the best evolved isolates. These results highlight the utility of "genome streamlining" as a route for generating platform strains with potential industrial applications.
adaptive laboratory evolution↗
Pre- and Post-Production Processes Increasingly Dominate Greenhouse Gas Emissions From Agri-Food Systems
We present results from the FAOSTAT emissions shares database, covering emissions from agri-food systems and their shares to total anthropogenic emissions for 196 countries and 40 territories for the period 1990–2019. We find that in 2019, global agri-food system emissions were 16.5 (95 %; CI range: 11–22) billion metric tonnes (GtCO2 eq. yr(exp -1)), corresponding to 31%(range: 19 %–43 %) of total anthropogenic emissions. Of the agri-food system total, global emissions within the farm gate – from crop and livestock production processes including on-farm energy use – were 7.2 GtCO2 eq. yr(exp -1); emissions from land use change, due to deforestation and peatland degradation, were 3.5 GtCO2 eq. yr(exp -1); and emissions from pre- and post-production processes – manufacturing of fertilizers, food processing, packaging, transport, retail, household consumption and food waste disposal – were 5.8 GtCO2 eq. yr(exp -1). Over the study period 1990–2019, agri-food system emissions increased in total by 17 %, largely driven by a doubling of emissions from pre- and post-production processes. Conversely, the FAOSTAT data show that since 1990 land use emissions decreased by 25 %, while emissions within the farm gate increased 9 %. In 2019, in terms of individual greenhouse gases (GHGs), pre- and postproduction processes emitted the most CO2 (3.9 GtCO2 yr(exp -1)), preceding land use change (3.3 GtCO2 yr(exp -1)) and farm gate (1.2 GtCO2 yr(exp -1)) emissions. Conversely, farm gate activities were by far the major emitter of methane (140 MtCH4 yr(exp -1)) and of nitrous oxide (7.8 MtN2Oyr(exp -1)). Pre- and post-production processes were also significant emitters of methane (49 MtCH4 yr(exp -1)), mostly generated from the decay of solid food waste in landfills and open dumps. One key trend over the 30-year period since 1990 highlighted by our analysis is the increasingly important role of food-related emissions generated outside of agricultural land, in pre- and post-production processes along the agri-food system, at global, regional and national scales. In fact, our data show that by 2019, pre- and post-production processes had overtaken farm gate processes to become the largest GHG component of agri-food system emissions in Annex I parties (2.2 GtCO2 eq. yr(exp -1)). They also more than doubled in non-Annex I parties (to 3.5 GtCO2 eq. yr(exp -1)), becoming larger than emissions from land use change. By 2019 food supply chains had become the largest agri-food system component in China (1100 MtCO2 eq. yr(exp -1)), the USA (700 MtCO2 eq. yr(exp -1)) and the EU-27 (600 MtCO2 eq. yr(exp -1)). This has important repercussions for food-relevant national mitigation strategies, considering that until recently these have focused mainly on reductions of non-CO2 gases within the farm gate and on CO2 mitigation from land use change. The information used in this work is available as open data with DOI https://doi.org/10.5281/zenodo.5615082 (Tubiello et al., 2021d). It is also available to users via the FAOSTAT database (https://www.fao.org/faostat/en/#data/EM; FAO, 2021a), with annual updates.
FAOSTAT agri-food systems emissions database↗
Carbon Dioxide Conversion to Nanomaterials: Methods, Applications, and Challenges
Anthropogenic carbon dioxide (CO 2 ) emission is one of the biggest global threats that we are confronted with in the 21st century. A lack of prompt action to mitigate the atmospheric CO 2 level could lead to global catastrophic events. As a result of the significance of the aforementioned threat, multiple nations have agreed to enact carbon capture, storage, utilization, and sequestration (CCUS) technologies at academic and industrial scales with the aim of lowering the atmospheric CO 2 level. Although there are many reviews on CCUS technologies, there is a lack of comprehensive review on CO 2 conversion to more economically valuable products, such as nanomaterials. Carbon dioxide capture and conversion into nanomaterials is an interesting research topic in many ways because it contributes to our fundamental knowledge of material conversion, provides alternative ways to reduce atmospheric pollution, and yields lucrative products, which has not been explored broadly. Aside from the positive outcomes, we have a moral obligation to rectify a global threat caused by anthropogenic emission. Herein, we present current methods of converting CO 2 into organic and inorganic nanomaterials with a focus on operating conditions and challenges as well as the potential of nanomaterials in specifically biomedical applications as opposed to extensively reviewed energy-related uses. Furthermore, our review emphasizes the toxicity issues related to using such nanomaterials in biological settings based on literature and other comparable studies.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Plastic from CO2 and Inedible Biomass (CRADA Final Report)
As part of the Cyclotron Road program, ReSource Chemical Corp. sought to investigate the conversion of inedible biomass and CO₂ to FDCA. FDCA is a performance monomer widely viewed as a green replacement for the petroleum-derived monomer PTA, which is produced at approximately 60 Mt per year with over 100 Mt of annual GHG emissions. The major polyester made from PTA, called PET, is a >$\$$100B industry with applications in bottling, food packaging, and fibers. The FDCA analogue of PET, called PEF, had superior gas barrier, mechanical, and thermal properties that enable increased shelf life of perishable goods while using less plastic.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Basic Energy Sciences Roundtable: Foundational Science for Carbon Dioxide Removal Technologies (Brochure)
Basic research to identify and understand the fundamental principles governing carbon dioxide removal processes of capture, conversion, and storage is essential for achieving zero carbon emissions by 2050. In March 2022, the Office of Basic Energy Sciences (BES)—in coordination with the US Department of Energy (DOE) technology Offices of Energy Efficiency and Renewable Energy, Fossil Energy and Carbon Management, and Nuclear Energy—held a roundtable titled, “Foundational Science for Carbon Dioxide Removal Technologies,” to discuss the scientific and technical barriers for CO 2 capture, conversion, and storage. Five priority research opportunities were identified to address these scientific and technical challenges and accelerate progress toward the realization of zero carbon emissions. The PROs are as follows: 1) Master Interfacial Processes of CO2 Transport and Reactivity Across Multiple Length and Time Scales; 2) Create Materials that Simultaneously Exhibit Multiple Properties for CO 2 Capture and Release or Conversion; 3) Discover Unconventional Pathways for Energy-Efficient CO 2 Capture, Release, and Conversion; 4) Control Multiphase Interactions Required for CO 2 Conversion into Minerals and Materials; and 5) Achieve Predictive Understanding of Coupled Processes in Complex Subsurface Geologic Systems for Secure Carbon Storage.
36 MATERIALS SCIENCE↗
Efficient second harmonic generation of 10-micron radiation in AgGaSe2
AgGaSe2 crystals for nonlinear infrared applications are being grown reproducibly. Using high-quality, 2-cm-long crystals, 14 percent energy and 60 percent peak intensity conversion efficiency have been demonstrated for second harmonic generation of the pulsed output of a CO2 miniature transversely excited atmospheric laser.
Eckardt, R. C.↗
Pressure Exchanger for Energy Recovery in a Trans-Critical CO2 Refrigeration System
Trans-critical CO2 vapor compression (VC) refrigeration cycles require a high compression ratio, which is associated with high expansion losses. To recover these expansion losses, a pressure exchange process between the low- and high-pressure sides of the VC cycle is proposed and examined in this study. The proposed pressure exchange system is an open type constant volume process where the high- and low-pressure flows mix inside the system. This prototype is inspired by the pressure exchangers used in reverse-osmosis (RO) desalination systems. In this system, a 2D model was generated and modeled using the computational fluid dynamics (CFD) technique. The numerical model ignored any losses due to leakage or hydraulic friction and the process is considered adiabatic. For the modeling, it was assumed that the inlet conditions for the two pressure exchanger flows are similar to the flow conditions at the evaporator and gas cooler outlets in a VC cycle. Two parameters are examined to test the validity of the system and understand their effect on the performance, including the inlet flow rate represented by the inlet velocity and the process time represented by the speed of rotation. A total of nine cases were simulated and analyzed in this study.
30 DIRECT ENERGY CONVERSION↗
Along the Channel Gradients Impact on the Spatioactivity of Gas Diffusion Electrodes at High Conversions during CO 2 Electroreduction
Results of a 2-D transport model for a gas diffusion electrode performing CO 2 reduction to CO with a flowing catholyte are presented, including the concentration gradients along the flow cell, spatial distribution of the current density and local pH in the catalyst layer. The model predicts that both the concentration of CO 2 and the buffer electrolyte gradually diminish along the channels for a parallel flow of gas and electrolyte as a result of electrochemical conversion and nonelectrochemical consumption. At high single-pass conversions, significant concentration gradients exist along the flow channels leading to large local variations in the current density (>150 mA/cm 2 ), which becomes prominent when compared to ohmic losses. In addition, concentration overpotentials change dramatically with CO 2 flow rate, which results in significant differences in outlet concentrations at high conversions. The outlet concentration of CO attains a maximum of 80% along with 5% CO 2 and 15% H 2 , although the maximum single-pass conversion is limited to below 60% due to homogeneous consumption by the electrolyte. Fundamental and practical implications of our findings on electrochemical CO 2 reduction are discussed with a focus on the trade-off between high current density operation and high single-pass conversion efficiency.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Impacts of Bond Type and Grafting Density on the Thermal, Structural, and Transport Behaviors of Nanoparticle Organic Hybrid Materials–Based Electrolytes
Nanoscale Organic Hybrid Materials (NOHMs) consist of polymers tethered to a nanoparticle surface, and NOHMs formed with an ionic bond between the polymer and nanoparticle have been proposed for electrochemical applications. NOHMs exhibit negligible vapor pressure, chemical tunability, oxidative thermal stability, and high ionic conductivity making them attractive in reactive and separation systems. In this study, NOHMs are synthesized by tethering Jeffamine M2070 (HPE) to SiO 2 nanocores via ionic (NOHM-I-HPE) and covalent (NOHM-C-HPE) bonding to investigate the effect of the bond type on the thermal, structural and transport properties of the tethered HPE. In the neat state, NOHM-C-HPE displays the highest thermal stability in a nitrogen atmosphere, while NOHM-I-HPE is the most stable under oxidative conditions. Small-angle neutron scattering (SANS) reveals the presence of multiple types of HPE polymers in aqueous solutions of NOHM-I-HPE (i.e., tethered, interacting, and free), whereas only tethered HPE is observed in NOHM-C-HPE systems. Moreover, the SANS profiles identify clustering of NOHM-C-HPE in aqueous solutions, but not in the corresponding NOHM-I-HPE solutions, suggesting that the free HPE chains stabilize the dispersion of NOHM-I-HPE. Furthermore, the results of this study elucidate how the bond type and grafting density can be used to tune the properties of NOHMs.
25 ENERGY STORAGE↗
One-dimensional, transient modeling of a fixed-bed regenerator as a replacement for recuperators in supercritical CO 2 power cycles
Fixed-bed regenerators may be a low cost alternative to recuperators for supercritical CO 2 power cycles. However, the transient nature of regenerators operating in sCO 2 power cycles has not been previously characterized. This study details a one-dimensional, transient model of a fixed-bed regenerator that captures phenomena such as local fluid properties and heat transfer coefficients, entrained fluid heat capacity, and the effects of conservation of mass during process switching. The model is validated with experimental results of a 10 kWth regenerator. This comparison shows that the model predicts temperature as a function of both time and space exceptionally well. The model predicts effectiveness, heat transfer, and discharge temperatures within 5%, and predicts pressure drop and fluid carryover within 10%. This model could be used in future studies to simulate regenerators within a supercritical CO 2 power cycle.
30 DIRECT ENERGY CONVERSION↗
Moisture-driven CO 2 direct air capture and delivery for cultivating cyanobacteria
This study demonstrates a low-energy system that passively captures CO₂ from ambient air using reusable solid sorbents and delivers it directly into alkaline cultivation media to support the growth of cyanobacteria, from laboratory flasks to outdoor raceway ponds. While long-term operation revealed challenges including biofouling and sorbent degradation, the results suggest that with improved sorbent durability, this approach could provide a scalable source of atmospheric carbon for producing sustainable fuels, proteins, natural colorants, and other bioproducts.
09 BIOMASS FUELS↗
Modeling the Local Environment within Porous Electrode during Electrochemical Reduction of Bicarbonate
Not Available
30 DIRECT ENERGY CONVERSION↗
Double-Atom Catalysts Featuring Inverse Sandwich Structure for CO 2 Reduction Reaction: A Synergetic First-Principles and Machine Learning Investigation
Electrocatalytic CO 2 reduction reactions (CO 2 RR) based on scalable and highly efficient catalysis provide an attractive strategy for reducing CO 2 emissions. Here in this work, we combined first-principles density functional theory (DFT) and machine learning (ML) to comprehensively explore the potential of double-atom catalysts (DACs) featuring an inverse sandwich structure anchored on defective graphene (gra) to catalyze CO 2 RR to generate C 1 products. We started with five homonuclear M 2 ⊥gra (M = Co, Ni, Rh, Ir, and Pt), followed by 127 heteronuclear MM'⊥gra (M = Co, Ni, Rh, Ir, and Pt, M' = Sc–Au). Stable DACs were screened by evaluating their binding energy, formation energy, and dissolution potential of metal atoms, as well as conducting first-principles molecular dynamics simulations with and without solvent water molecules. Based on DFT calculations, Rh 2 ⊥gra DAC was found to outperform the other four homonuclear DACs and the Rh-based single- and double-atom catalysts of noninverse sandwich structures. Out of the 127 heteronuclear DACs, 14 were found to be stable and have good catalytic performance. An ML approach was adopted to correlate key factors with the activity and stability of the DACs, including the sum of radii of metal and ligand atoms (d M–M' , d M–C , and d M'–C ), the sum and difference of electronegativity of two metal atoms (P M + P M' , P M – P M '), the sum and difference of first ionization energy of two metal atoms (I M + I M' , I M – I M '), the sum and difference of electron affinity of two metal atoms (A M + A M' , A M – A M '), and the number of d-electrons of the two metal atoms (Nd). The obtained ML models were further used to predict 154 potential electrocatalysts out of 784 possible DACs featuring the same inverse sandwich configuration. Overall, this work not only identified promising CO 2 RR DACs featuring the reported inverse sandwich structure but also provided insights into key atomic characteristics associated with high CO 2 RR activity.
30 DIRECT ENERGY CONVERSION↗
Insights from designing an artificial cascade catalysis system using principles from substrate channeling in enzymes
Generalizing the key requirements of highly-selective, multi-step chemical conversions involving spatially separated reaction centers remains one of the grand challenges of chemistry. Much work towards this effort has focused on decomposing multi-step conversions into their constituent reactions, whose intermediates are successively upgraded in a chemical cascade via diffusion from center to center. This approach for synthesizing more complex molecules takes its cues from biochemical networks, where near-unit conversion of even complex carbohydrates is achieved by upgrading chemical precursors via enzymatic cascades. In this computational study we examine a simple cascade involving coupled Ag and Cu catalysts that sequentially converts CO2 to CO and then CO2 and CO to reduced products, generically named CO2Product and COProduct. The system architecture is inspired by the phenomenon of biological substrate channeling, and components are examined to evaluate their effects on conversion efficiency in the cascade. Aside from a substrate channel linking two reaction centers, we find efficient cascades must also incorporate directional substrate diffusion, compartmentalization of the reaction centers, and proper timing of substrate arrival at the active center. We make explicit linkages between these requirements and chemical conversion in known biological systems, revealing additional control elements that could be incorporated.
CO 2 reduction↗
Evaluation of Low Temperature CO Removal Catalysts
CO removal from spacecraft gas streams was evaluated for three commercial, low temperature oxidation catalysts: Carulite 300, Sofnocat 423, and Hamilton Sundstrand Pt1. The catalysts were challenged with CO concentrations (1-100 ppm) under dry and wet (50% humidity) conditions using 2-3 % O2. CO removal and CO2 concentration were measured at constant feed composition using a FTIR. Water vapor affected the CO conversion of each catalyst differently. An initial screening found that Caulite 300 could not operate in humid conditions. The presence of water vapor affected CO conversion of Sofnocat 423 for challenge concentrations below 40 ppm. The conversion of CO by Sofnocat 423 was 80% at CO concentrations greater than 40 ppm under both dry and moist conditions. The HS Pt1 catalyst exhibited CO conversion levels of 100% under both dry and moist conditions.
Low Temperature↗
Mars Atmospheric Conversion to Methane and Water: An Engineering Model of the Sabatier Reactor with Characterization of Ru/Al2O3 for Long Duration Use on Mars
The Atmospheric Processing Module (APM) is a Mars In-Situ Resource Utilization (ISRU) technology designed to demonstrate conversion of the Martian atmosphere into methane and water. The Martian atmosphere consists of approximately 95 carbon dioxide (CO2) and residual argon and nitrogen. APM utilizes cryocoolers for CO2 acquisition from a simulated Martian atmosphere and pressure. The captured CO2 is sublimated and pressurized as a feedstock into the Sabatier reactor, which converts CO2 and hydrogen to methane and water. The Sabatier reaction occurs over a packed bed reactor filled with Ru/Al2O3 pellets. The long duration use of the APM system and catalyst was investigated for future scaling and failure limits. Failure of the catalyst was detected by gas chromatography and temperature sensors on the system. Following this, characterization and experimentation with the catalyst was carried out with analysis including x-ray photoelectron spectroscopy and scanning electron microscopy with elemental dispersive spectroscopy. This paper will discuss results of the catalyst performance, the overall APM Sabatier approach, as well as intrinsic catalyst considerations of the Sabatier reactor performance incorporated into a chemical model.
Catlayst↗
Photochemical reactions of water and carbon monoxide in earth's primitive atmosphere
The gas-phase photolysis of H2O at 1849 A in the presence of CO yields mainly CO2 and H2 and a variety of organic compounds, including C1-C3 hydrocarbons, alcohols, aldehydes, acetone, and acetic acid. The overall quantum yield for conversion of CO to organic compounds varies between 0.23 and 0.03 as a function of the CO abundance. These results indicate that even if primitive earth's atmosphere initially contained no molecular hydrogen and contained carbon only in the form of CO or a mixture of CO and CO2, the prebiotic environment would have become enriched with a variety of organic compounds produced by photochemical processes.
Bar-Nun, A.↗