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At least 469 records · Page 26

The BEST framework for the search for the QCD critical point and the chiral magnetic effect

The Beam Energy Scan Theory (BEST) Collaboration was formed with the goal of providing a theoretical framework for analyzing data from the Beam Energy Scan (BES) program at the relativistic heavy ion collider (RHIC) at Brookhaven National Laboratory. The physics goal of the BES program is the search for a conjectured QCD critical point as well as for manifestations of the chiral magnetic effect. We describe progress that has been made over the previous five years. This includes studies of the equation of state and equilibrium susceptibilities, the development of suitable initial state models, progress in constructing a hydrodynamic framework that includes fluctuations and anomalous transport effects, as well as the development of freezeout prescriptions and hadronic transport models. Lastly, we address the challenge of integrating these components into a complete analysis framework. This document describes the collective effort of the BEST Collaboration and its collaborators around the world.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Taking stock of nationally determined contributions: Continued ratcheting of ambition is critical to limit global warming to 1.5°C

We will discuss that as countries take stock of progress made in accomplishing their climate goals ahead of COP28 this year, it is increasingly apparent that countries must ratchet ambition in policy areas such as non-CO 2 gases and carbon dioxide removal, while halting deforestation to lead the globe on a path consistent with the goals of the Paris Agreement.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Minimizing development costs for efficient many-core visualization using MCD3

Scientific visualization software increasingly needs to support many-core architectures. However, development time is a significant challenge due to the breadth and diversity of both visualization algorithms and architectures. With this work, we introduce a development environment for visualization algorithms on many-core devices that extends the traditional data-parallel primitive (DPP) approach with several existing constructs and an important new construct: meta-DPPs. We refer to our approach as MCD 3 — Meta-DPPs, Convenience routines, Data management, DPPs, and Devices. The twin goals of MCD 3 are to reduce developer time and to deliver efficient performance on many-core architectures, and our evaluation considers both of these goals. For development time, we study 57 algorithms implemented in the VTK-m software library and determine that MCD 3 leads to significant savings. For efficient performance, we survey ten studies looking at individual algorithms and determine that the MCD 3 hardware-agnostic approach leads to performance comparable to hardware-specific approaches: sometimes better, sometimes worse, and better in the aggregate. In total, we find that MCD 3 is an effective approach for scientific visualization libraries to support many-core architectures.

97 MATHEMATICS AND COMPUTING↗

Complementary relationship between small-hydropower and increasing penetration of solar photovoltaics: Evidence from CAISO

To achieve the 100% green electricity goal, we need to understand the relationship between resources in the market and identify the flexible clean resources (i.e., hydropower) to integrate power from wind and photovoltaic (PV). This paper reveals a complementary relationship between small hydropower plants and solar PVs in the California Independent System Operator (CAISO) based on the system-wide hourly generation data from 2013 to 2017. When the solar PV increases its portion in the generation mix by 1%, small hydro will increase its portion by 0.01–0.06%. Such response is obvious in the net demand peak hours, both morning and evening. The low operation cost, flexibility, and dispatchability of small hydro in CAISO explain this complementarity. Due to its benefit in emission and low Levelized Cost of Electricity (LCOE), it is suggested to consider more small hydro projects to accommodate additional PV capacity for the 100% green electricity goal. Our estimation indicates that the current feasible potential of small hydro is sufficient, if the relation stays the same over years. If developers can mitigate the environmental impact, more technical potential will become feasible. Thus, small hydro could integrate more solar PV and reduce the demand for natural gas plants and batteries.

13 HYDRO ENERGY↗

Developing a common approach for classifying building stock energy models

Buildings contribute 40% of global greenhouse gas emissions; therefore, strategies that can substantially reduce emissions from the building stock are key components of broader efforts to mitigate climate change and achieve sustainable development goals. Models that represent the energy use of the building stock at scale under various scenarios of technology deployment have become essential tools for the development and assessment of such strategies. Within the past decade, the capabilities of building stock energy models have improved considerably, while model transferability and sharing has increased. Given these advancements, a new scheme for classifying building stock energy models is needed to facilitate communication of modeling approaches and the handling of important model dimensions. In this article, we present a new building stock energy model classification framework that leverages international modeling expertise from the participants of the International Energy Agency's Annex 70 on Building Energy Epidemiology. Drawing from existing classification studies, here we propose a multi-layer quadrant scheme that classifies modeling techniques by their design (top-down or bottom-up) and degree of transparency (black-box or white-box); hybrid techniques are also addressed. The quadrant scheme is unique from previous classification approaches in its non-hierarchical organization, coverage of and ability to incorporate emerging modeling techniques, and treatment of additional modeling dimensions. The new classification framework will be complemented by a reporting protocol and online registry of existing models as part of ongoing work in Annex 70 to increase the interpretability and utility of building stock energy models for energy policy making.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Challenges and Opportunities in Decarbonizing the U.S. Energy System

The United States has pledged to develop a 100% carbon-free electric power system by 2035 and a net-zero-emissions economy by 2050. While important advancements have been made in the scale, performance, and economics of clean energy technologies, meeting the nation's ambitious goals will not only require their deployment at scale, but also additional innovation and effective integration of different solutions. Technological developments across the broad suite of low-carbon energy solutions are advancing rapidly, with ongoing innovations in renewable electricity generation, industrial processes, and energy-saving technologies and services, including LED lighting, induction heating, electric vehicles, energy storage solutions, and mobility as a service, plus smart devices, controls, and more efficient and smart buildings. Combining renewable electricity with biotic and abiotic pathways to produce chemicals, fuels, and materials promises to deliver new solutions. Grid-interactive buildings and communities, integrating transportation infrastructure and vehicles, are likely to be significant components of any zero-carbon energy strategy. Low-carbon industrial manufacturing will also make strong contributions to a net-zero economy. While the technical prospects appear promising, variations in the state of infrastructure, jurisdictional and social equity, pollution, economic and socio-cultural constraints, energy resource availability, and supply chain dynamics found in different locations present a range of challenges and demand customized solutions. This paper provides a critical review and offers new insights into the technical, infrastructure, analytic, political, and economic challenges faced in translating the nation's ambitious net-zero-emissions goals into feasible and reliable implementation action plans.

circular economy↗

Potential Effects of Climate Change and Solar Radiation Modification on Renewable Energy Resources

Solar radiation modification (SRM) is a possible deliberate approach to decrease or reflect incoming solar radiation with the goal of reducing global temperatures, which have increased over the last decades due to high atmospheric greenhouse gas concentrations. Stratospheric aerosol injection, specifically, has shown potential for successfully reducing global temperatures in climate model simulations. Despite the growing literature in the areas of climate change and SRM, their combined effects on renewable energy generation, a climate change mitigation strategy, have not been addressed. In this review paper, we synthesize previous literature on the possible effects of climate change and SRM on renewable energy resources (i.e., wind energy, solar energy, biomass energy, and hydropower), review the status of climate change and SRM research, and explore potential effects of SRM on renewable energy primarily in the Continental United States (CONUS), but with global perspectives as well. We discuss the research challenges and impacts of SRM on renewable energy and conclude by discussing the potential implications of SRM for renewables for SRM governance and policy. This work is not advocating for or against SRM. It is highlighting an important potential impact for future decision makers.

Kumler, Andrew [National Renewable Energy Laborato↗

A survey on degradation modeling, prognosis, and prognostics-driven maintenance in wind energy systems

Wind energy generation proliferated over the past decades, introducing unique challenges and opportunities for failure prediction, operation and maintenance. Decision-makers are continuously looking into new methods to infer failure mechanisms and behaviors of wind turbine components to detect and intervene in the failures before they happen. Evidently, degradation modeling and prognosis become engaging topics for researchers and practitioners to prevent catastrophic failures. Prognostics-driven approaches predict the time of failure for the components (e.g., predicting remaining useful life), which provides significant insights for scheduling of operations and maintenance activities. Integrating these prognostics-driven insights into wind farm operations and maintenance presents a substantial challenge, demanding careful consideration of numerous factors such as accessibility, crew routing, and spare part logistics. This study provides state-of-the-art review for degradation modeling, prognosis, and prognostics-driven maintenance techniques for wind energy systems. The discussed techniques align with the United Nations' sustainable development goals, in particular Goal 7 (Affordable and Clean Energy), by enhancing effectiveness and sustainability of wind energy operations. This work also showcases open research questions related to degradation modeling, prognosis, and prognostics-driven maintenance.

Altinpulluk, Nur Banu↗

Hand me the franchise agreement: municipalities add another policy tool to their clean energy toolbox

A growing list of the more than 20,000 municipalities in the United States are considering pathways to achieve renewable energy goals. One emerging trend is for municipalities to incorporate energy objectives into their franchise agreements with an electric service provider. Franchise agreements are contracts between municipalities and utilities that grant the utility authority to serve customers in the municipality. In some cases, municipalities have negotiated renewable energy objectives into these agreements. It is still unclear how many municipalities have exercised this authority and to what effect. From a national dataset of 3500 franchise agreements, we selected five cities that adopted renewable energy or energy efficiency objectives into or alongside their franchise agreements for deeper analysis: Chicago, Illinois; Denver, Colorado; Sarasota, Florida; Minneapolis, Minnesota; and Salt Lake City, Utah. We generated seven key takeaways for other cities considering this pathway to achieve their energy objectives. In summary, municipalities can leverage franchise negotiations to pursue both modest and ambitious clean energy goals (i.e. 100% renewable electricity). This study provides municipalities with critical insight on how they can use this potentially formidable tool to achieve their own energy objectives.

14 SOLAR ENERGY↗

Trace explosive residue detection of HMX and RDX in post-detonation dust from an open-air environment

Explosives are often used in industry, geology, mining, and other applications, but it is not always clear what remains after a detonation or the fate and transport of any residual material. The goal of this study was to determine to what extent intact molecules of high explosive (HE) compounds are detectable and quantifiable from post-detonation dust and particulates in a field experiment with varied topography. We focused on HMX (1,3,5,7-Tetranitro-1,3,5,7-tetrazocane), which is less studied in field detonation literature, as the primary explosive material and RDX (1,3,5-Trinitroperhydro-1,3,5-triazine) as the secondary material. The experiment was conducted at Site 300, Lawrence Livermore National Laboratory’s Experimental Test Site, in California, USA. Two 20.4 kg and one 40.8 kg above ground explosions (primarily comprised of LX-14, an HMX-based polymer-bonded high explosive) were detonated on an open-air firing area on separate days. The complex terrain of the firing area (e.g., buildings, berm, low-height obstacles) was advantageous to study HE deposition in relation to plume dynamics. Three types of samples were collected up to 100 m away from each shot: surface swipes of aluminum plates, surface swipes of fixed objects, and filters from air samples. We used atmospheric flow tube-mass spectrometry (AFT-MS) to quantify picogram levels of molecular residue of HE material in the post-detonation dust. An aliquot of sample extract in methanol (e.g., 1 µL of 0.5 mL) was placed onto a resistive material and then thermally desorbed into the AFT-MS. We successfully detected and quantified both HMX and RDX in many of the samples. Based on mass (pg) detected and solution dilution, we back-calculated the mass collected on the swipe or filter (ng per sample). The aerial distribution of molecular residue was consistent with the path of the plume, which was strongly determined by wind speed and direction at the time of each shot. The quantity of material detected appeared to correlate more with distance from the shot and the wind conditions than with shot size. This study demonstrates that the picogram detection levels of AFT-MS are well-suited for quantification of analytes (e.g., HMX and RDX) in environmental samples.

atmospheric flow tube-mass spectrometry (AFT-MS), ↗

How to design a zero-emissions vehicle mandate? Simulating impacts on sales, GHG emissions and cost-effectiveness using the AUtomaker-Consumer Model (AUM)

We report although numerous studies investigate the impacts of policy on zero-emissions vehicle (ZEV) sales, few address the impacts of a ZEV sales mandate and its particular design features. We use the AUtomaker-consumer Model (AUM) to simulate varying designs of a ZEV mandate in Canada's light-duty vehicle sector, requiring 30% ZEV sales by 2030. Design features include: different penalties for non-compliance, different allocations of credits per ZEV type, and the allowance of banking credits across years. For each policy design, we consider impacts on ZEV adoption, GHG emissions, consumer surplus, automaker profits, and overall policy cost-effectiveness. Results demonstrate trade-offs among the policy designs. Generally, ZEV mandate designs that are more effective at increasing ZEV adoption and decreasing GHG emissions also induce larger reductions in consumer surplus and automaker profits. To achieve the ZEV sales goal, simulations show that a higher non-compliance penalty (CDN$ 10k per credit) is needed. ZEV adoption and GHG reductions are also improved by a “One credit per ZEV” scheme, rather than a “California-style” scheme that gives multiple credits per battery-electric vehicle. Further, allowing automakers to bank credits softens the policy impact on profit and increases automaker compliance in initial years. Across these different design combinations, we find that the most cost-effective design ($CDN/tonne mitigated, including consumer surplus and automaker profits impacts) utilizes a $10k non-compliance penalty and “One credit per ZEV” system that allows banking. Our analysis demonstrates the importance of various ZEV mandate design features, and the complex trade-offs involved among various policy goals.

54 ENVIRONMENTAL SCIENCES↗

The role of peer review and science for advancing public understanding

We live in a time of rapid change. The Covid-19 pandemic has united the world to understand and develop solutions to protect the health and wellbeing of society. At the same time, access to information on the internet and social media has exploded. People are exposed to information with many claims. Some of the information is relevant and accurate. A significant fraction may be inaccurate, biased, and potentially dangerous. With Covid-19, the information might point to cures that are toxic or risks that are not relevant. The scientific community has developed a process to develop and convey knowledge. The validation of results and their interpretation is critical to advancing knowledge. The core of the scientific process is based on developing a hypothesis-driven concept, designing and executing an experimental approach to prove or disprove the hypothesis, conducting a statistical analysis of the results to confirm their validity, and interpreting their meaning and impact. When their work is completed the scientist prepares to publish the work. Publication requires peer review. Hypotheses, experimental approaches, results, and interpretation of results are independently and anonymously reviewed by a scientific peer. The reviewers are selected based on their expertise in the field. The peer review process is essential for the integrity of the scientific process. Without a robust scientific process, society cannot discriminate between validated results and interpretations and biased, inaccurate, and potentially dangerous conjecture. With inaccurate science society and policy makers may make poor decisions that could hurt people and the world around them. While scientists should not censor information available to the public, scientists have a responsibility to inform the public. We must articulate what the scientific process is and why it is essential when considering the validity of information. Scientist are responsible for pointing out when public information has not been vetted through a scientific process and therefore cannot be considered conclusive. Scientists are responsible for highlighting information that has been generated and vetted with the scientific process. Over time, our goal is for the public to value the scientific process based on peer review. The public could become enlightened to the necessity for peer review to support decisions and action. Scientists need to contribute to advancing public knowledge. When invited to serve as a peer reviewer, scientists have a responsibility to contribute to the process. We all are extremely busy making peer review a distraction. While peer review does not directly benefit our own work and career, it benefits our chosen field of science. This is very important for the research area that our journal, Water-Energy Nexus, is focusing on. We cover the convergence of science and technology integrating across large spatial ranges (micro to global) in environmental pollution and the balance of remediation issues with energy use. Water-Energy Nexus wants to provide scientists with a platform for scientific debate and discussion on this rich and complicated topic. With the manuscripts submitted to WEN cover integrated research topics across a broad range of subjects from environment sciences through energy engineering, the role of peer review is essential. Peer review on a new submission to WEN should not be biased towards a specific science field. It should be done considering the complex nature of issues in the water-energy nexus. Scientists need to contribute to the public dialog. To accomplish these goals, we need to be honest, accurate, articulate, and use understandable language. The impact of WEN is very diverse affecting society in many ways. The scientific audience for WEN is diverse and readers may not fully understand the content of the papers outside their research expertise. Therefore, scientists, especially those who want to contribute to WEN, should work with communications specialists to convey message to benefit society. The audience includes the general public and researchers outside the author’s core specialty. While the peer-reviewed journal article is the cornerstone of our careers and critical for advancing scientific knowledge, a general interest story could benefit society even more. The author cannot lose sight that our work has two audiences, the science community, and more importantly, our family, friends, neighbors, and policy makers.

54 ENVIRONMENTAL SCIENCES↗

Overview of the SPARC tokamak

The SPARC tokamak is a critical next step towards commercial fusion energy. SPARC is designed as a high-field ( $B_0 = 12.2$ T), compact ( $R_0 = 1.85$ m, $a = 0.57$ m), superconducting, D-T tokamak with the goal of producing fusion gain $Q>2$ from a magnetically confined fusion plasma for the first time. Currently under design, SPARC will continue the high-field path of the Alcator series of tokamaks, utilizing new magnets based on rare earth barium copper oxide high-temperature superconductors to achieve high performance in a compact device. The goal of $Q>2$ is achievable with conservative physics assumptions ( $H_{98,y2} = 0.7$ ) and, with the nominal assumption of $H_{98,y2} = 1$ , SPARC is projected to attain $Q \approx 11$ and $P_{\textrm {fusion}} \approx 140$ MW. SPARC will therefore constitute a unique platform for burning plasma physics research with high density ( $\langle n_{e} \rangle \approx 3 \times 10^{20}\ \textrm {m}^{-3}$ ), high temperature ( $\langle T_e \rangle \approx 7$ keV) and high power density ( $P_{\textrm {fusion}}/V_{\textrm {plasma}} \approx 7\ \textrm {MW}\,\textrm {m}^{-3}$ ) relevant to fusion power plants. SPARC's place in the path to commercial fusion energy, its parameters and the current status of SPARC design work are presented. This work also describes the basis for global performance projections and summarizes some of the physics analysis that is presented in greater detail in the companion articles of this collection.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

MagNetUS: a magnetized plasma research ecosystem

MagNetUS is a network of scientists and research groups that coordinates and advocates for fundamental magnetized plasma research in the USA. Its primary goal is to bring together a broad community of researchers and the experimental and numerical tools they use in order to facilitate the sharing of ideas, resources and common tasks. Discussed here are the motivation and goals for this network and details of its formation, history and structure. An overview of associated experimental facilities and numerical projects is provided, along with examples of scientific topics investigated therein. Finally, a vision for the future of the organization is given.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Toward a First-Principles Framework for Predicting Collective Properties of Electrolytes

Conspectus Given the universal importance of electrolyte solutions, it is natural to expect that we have a nearly complete understanding of the fundamental properties of these solutions (e.g., the chemical potential) and that we can therefore explain, predict, and control the phenomena occurring in them. In fact, reality falls short of these expectations. But, recent advances in the simulation and modeling of electrolyte solutions indicate that it should soon be possible to make progress toward these goals. In this Account, we will discuss the use of first-principles interaction potentials based in quantum mechanics (QM) to enhance our understanding of electrolyte solutions. Specifically, we will focus on the use of quantum density functional theory (DFT) combined with molecular dynamics simulation (DFT-MD) as the foundation for our approach. The overarching concept is to understand and accurately reproduce the balance between local or short-ranged (SR) structural details and long-range (LR) correlations, allowing the prediction of the thermodynamics of both single ions in solution as well as the collective interactions characterized by activity/osmotic coefficients. In doing so, relevant collective motions and driving forces characterized by chemical potentials can be determined. Here, in this Account, we will make the case that understanding electrolyte solutions requires a faithful QM representation of the SR nature of the ion–ion, ion–water, and water–water interactions. However, the number of molecules that is required for collective behavior makes the direct application of high-level QM methods that contain the best SR physics untenable, making methods that balance accuracy and efficiency a practical goal. Alternatives such as continuum solvent models (CSMs) and empirically based classical molecular dynamics have been extensively employed to resolve this problem but without yet overcoming the fundamental issue of SR accuracy. We will demonstrate that accurately describing the SR interaction is imperative for predicting both intrinsic properties, namely, at infinite dilution, and collective properties of electrolyte solutions. DFT has played an important role in our understanding of condensed phase systems, e.g., bulk liquid water, the air–water interface, ions in bulk, and at the air–water interface. This approach holds huge promise to provide benchmark calculations of electrolyte solution properties that will allow for the development and improvement of more efficient methods, as well as an enhanced understanding of fundamental phenomena. However, the standard protocol using the generalized gradient approximation with van der Waals (vdW) correction requires improvement in order to achieve a high level of quantitative accuracy. Simply simulating with higher level DFT functionals may not be the best route considering the significant computational cost. Alternative methods of incorporating information from higher levels of QM should be explored; e.g., using force matching techniques on small clusters, where high level benchmark calculations are possible, to develop ideal correction terms to the DFT functional is a promising possibility. We argue that DFT with statistical mechanics is becoming an increasingly useful framework enabling the prediction of collective electrolyte properties.

Duignan, Timothy T.↗

Photobiocatalysis for Abiological Transformations

Harnessing biocatalysts for novel abiological transformations is a longstanding goal of synthetic chemistry. Combining the merits of biocatalysis and photocatalysis allows for selective transformations fueled by visible light and offers many advantages including new reactivity, high enantioselectivity, greener syntheses, and high yields. Photoinduced electron or energy transfer enables synthetic methodologies that complement conventional two electron processes or offer orthogonal pathways for developing new reactions. Enzymes are well suited and can be tuned by directed evolution to exert control over radical intermediates thereby suppressing undesirable reactions and delivering high chemo- and stereoselectivities. Within the past decade, the combination of biocatalysis and photocatalysis was mainly focused on exploiting light-regenerated cofactors to increase native enzymatic activity. However, recent developments have demonstrated that the combination can unlock new-to-nature chemistry. Particularly, the discovery and application of new strategies are well poised to expand the applications of photobiocatalysis. In the past three years, our lab has been studying the combinations of photocatalysis and biocatalysis which can be applied to create new synthetic methodologies and solve challenges in synthetic organic chemistry. Our efforts have expanded the strategies for combining external photocatalysts with enzymes through the construction of a synergistic cooperative stereoconvergent reduction system consisting of photosensitized energy transfer and ene-reductase catalyzed alkene reduction. Additionally, our efforts have also extended the capability of cofactor-dependent photoenzymatic systems to include enantioselective bimolecular radical hydroalkylations of alkenes by irradiating electron donor-acceptor complexes comprised of enzymatic redox active cofactors and unnatural substrates. In this Account, we highlight strategies developed by our group and others for combining biocatalysis and photocatalysis with the aim of introducing nonnatural reactivity to enzymes. Presently, strategies applied to achieve this goal include the repurposing of newly discovered photoactive enzymes, the elucidation of new photoreactivity within cofactor-dependent enzymes, the combination of external photocatalysts with enzymes, and the construction of artificial photoenzymes. By demonstrating the successful application of these strategies for achieving selective new-to-nature transformations, we hope to spur interest in the expanding the scope of photobiocatalytic systems through the use and extension of these strategies and creation of new strategies. In addition, we hope to elucidate the intuition in synergizing the unique capabilities of biocatalysis and photocatalysis so that photobiocatalysis can be recognized as a potential solution to difficult challenges in synthetic organic chemistry.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Opportunity Assessment for Sustainable Aviation Fuel Production from Woody Biomass via Ex Situ Catalytic Fast Pyrolysis and Refinery Hydroprocessing

Biofuels have become a promising solution to reduce emissions in hard-to-electrify transportation sectors, such as aviation. However, several biofuel conversion pathways will likely be needed to scale sustainable aviation fuel (SAF) production to meet lower carbon intensity goals when biomass feedstock availability constraints are considered. This study evaluates the future potential of the catalytic fast pyrolysis (CFP) pathway to contribute to U.S. SAF production goals as outlined in the U.S. Department of Energy’s (DOE) SAF Grand Challenge, understanding that the CFP pathway is still under development toward maturity and scaleup. National forestland resource data from the DOE’s 2023 Billion Ton Study are integrated with recent experimental results demonstrating end-to-end woody biomass conversion to SAF via CFP and hydroprocessing in a novel bioeconomy optimization framework. U.S. refinery hydroprocessing capacity is also considered with repurposing and coprocessing strategies. Results indicate that the CFP process can contribute up to 4.6 billion gallons of SAF annually by 2040, meeting 13% of the 2050 SAF Grand Challenge target while reducing the carbon intensity (CI) of the U.S. jet fuel pool by 16%. The study further explores optimal processing strategies, suggesting that colocating CFP operations with existing petroleum refineries and repurposing some U.S. hydrocracking capacity may offer significant cost advantages and enhance the commercial viability of the CFP pathway. These results underscore the CFP pathway’s potential to support the global aviation industry’s lower carbon intensity objectives while producing other renewable fuels and products.

09 BIOMASS FUELS↗

Vibrational Quantum-State-Controlled Reactivity in the O 2 + + C 3 H 4 Reaction

Quantum-state-controlled reactivity is a long-standing goal in the field of physical chemistry. In this work, we explore the vibrational-state-dependent behavior of the ion–molecule reaction between O 2 + in distinct vibrational states and two isomers of C 3 H 4 , allene (H 2 C 3 H 2 ) and propyne (H 3 C 3 H). While most products are formed regardless of the vibrational state of O 2 + , the branching ratios are influenced by vibrational excitation, and a new product, C 2 O + , appears exclusively in the excited-state reactions. This selective formation of C 2 O + demonstrates that vibrational excitation can effectively activate a reaction pathway, providing direct evidence of quantum-state control in the reactivity. These results represent an important step toward the goal of quantum-state-controlled chemistry in molecular systems.

Chemical reactions↗