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Chemistry Engineering

5
Open Unknowns
0
Cross-Domain Bridges
5
Active Hypotheses

Open Unknowns (5)

Unknown What are the molecular-scale mechanisms by which organic corrosion inhibitors adsorb on metal surfaces and arrest electrochemical dissolution, and can these mechanisms be predicted from molecular structure? u-corrosion-inhibitor-molecular-mechanism
Unknown Can continuous flow chemistry and catalytic process intensification reduce the pharmaceutical E-factor from the current 25-100 range to below 10 for complex multistep API synthesis, and what fraction of currently batch-manufactured drugs are chemically and operationally compatible with flow chemistry conversion? u-green-chemistry-pharmaceutical-e-factor-continuous-flow
Unknown Whether the dominant Nafion membrane degradation mechanism under fuel cell operating conditions (HO• radical attack, fluoride release, mechanical fatigue, or catalyst dissolution crossover) is sufficiently understood to design next-generation membranes with >80,000-hour lifetimes u-nafion-degradation-mechanism-longevity
Unknown Does the Sabatier volcano principle — optimal catalyst binds intermediates with intermediate affinity — extend to multi-step cascade reactions (e.g. CO₂ reduction to methanol: CO₂→CO→HCHO→CH₃OH) where different steps have conflicting optimal binding energies, and can DFT-based multi-dimensional volcano plots predict optimal bifunctional or tandem catalyst designs? u-sabatier-volcano-principle-multi-step-cascade-reaction-design
Unknown What is the atomic-scale origin of the anomalously high interfacial resistance between lithium metal anodes and oxide solid electrolytes (LLZO, LIPON), and what interface engineering strategies can reduce it below 1 Ω·cm²? u-solid-state-battery-sei-interface-resistance-origin

Active Hypotheses

Hypothesis CO₂ copolymerization with epoxides (using Zn or Co salen catalysts) to produce polycarbonate plastics is net carbon-negative over the product lifetime when accounting for CO₂ sequestration, fossil feedstock displacement, and incineration end-of-life — making CO₂-based polymers a scalable industrial carbon sink. high
Hypothesis DFT-calculated adsorption energies and Brønsted-Evans-Polanyi activation energy relationships correctly predict the rank-ordering of catalytic activity (turnover frequency) for new bimetallic catalysts before experimental synthesis, enabling rational catalyst design that identifies the top-3 candidates among a 100+ member library with ≥80% success rate. high
Hypothesis LLZO (Li₇La₃Zr₂O₁₂) solid electrolyte with ionic conductivity σ > 10⁻³ S/cm and shear modulus G > 10 GPa prevents lithium dendrite nucleation at all practical current densities (< 10 mA/cm²) via the Monroe-Newman mechanical stability criterion, provided interfacial resistance is < 1 Ω·cm². high
Hypothesis Machine learning models trained on DFT-computed adsorption energies and molecular descriptors can predict organic corrosion inhibitor efficiency with sufficient accuracy to reduce experimental screening effort by an order of magnitude medium
Hypothesis Non-PFSA proton exchange membranes operating at 120–200°C without external humidification will achieve proton conductivities >100 mS/cm and lifetimes >40,000 hours, enabling PEM electrolysers and fuel cells to operate at higher efficiency and lower cost than Nafion-based systems high

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Generated 2026-06-21 · USDR Dashboard