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At least 685 records · Page 38
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Langmuir adsorption model to assess the impact of silane coupling on nano-dispersion of silica in SBR

Surface active agents are often used to improve dispersion of nanoparticles. Quantitative correlation between these surface-active molecules and nanoscale dispersion is absent from the literature partly because a quantitative measure of nanoscale dispersion does not exist. Recently, we have developed the Virial-van der Waals method to quantify dispersion in nanocomposites using virial coefficients. In this paper, the Langmuir adsorption model is used to quantify the influence of surface-active agents on nano-scale dispersion in terms of the effective second virial coefficient B 2 *. The impact of silane coupling agent on the nano-dispersion and silica aggregate structure in precipitated silica/SBR nanocomposites is demonstrated. It is shown that the higher viscosity SBR matrix led to a greater silica aggregate structural breakup, while lower viscosity matrix improved surface silanization. The isomeric content of the SBR, which impacts the dielectric behavior, impacted whether the system could be modeled through a mean-field or specific interactions. We earlier showed that larger aggregates improve dispersion, and this is reaffirmed in these results. After account is made for aggregate size, nano-scale dispersion improves with the addition of silane coupling agent. The behavior is well modeled using Langmuir monolayer adsorption.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Measurement of flow coefficients in high-multiplicity 𝑝 + Au, 𝑑 + Au, and 3 He + Au collisions at $\sqrt{s_{NN}}$ = 200 GeV

Flow coefficients (𝑣 2 and 𝑣 3 ) are measured in high-multiplicity 𝑝 + Au, 𝑑 + Au, and 3 He + Au collisions at a center-of-mass energy of $\sqrt{s_{NN}}$ = 200 GeV using the STAR detector. The measurements utilize two-particle correlations with a pseudorapidity requirement of |𝜂| < 0.9 and a pair gap of |Δ⁢𝜂| > 1.0. The primary focus is on analysis methods, particularly the subtraction of nonflow contributions. Four established nonflow subtraction methods are applied to determine 𝑣 𝑛 , validated using the HIJING event generator. 𝑣 𝑛 values are compared across the three collision systems at similar multiplicities; this comparison cancels the final-state effects and isolates the impact of initial geometry. While 𝑣 2 values show differences among these collision systems, 𝑣 3 values are largely similar, consistent with expectations of subnucleon fluctuations in the initial geometry. The ordering of 𝑣 𝑛 differs quantitatively from previous measurements using two-particle correlations with a larger rapidity gap, which, according to model calculations, can be partially attributed to the effects of longitudinal flow decorrelations. As a result, the prospects for future measurements to improve our understanding of flow decorrelation and subnucleonic fluctuations are also discussed.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Iridium valence variation and carrier sign tuning in ( Ca , Ba ) x La 2 – x CuIrO 6 double perovskites

Here, we report the structure and properties of ( Ca , Ba ) x La 2 – x CuIrO 6 . The rock-salt double perovskite structure goes through a P 1 ¯ to P 2 1 / n phase transition with increasing Ba content but not with Ca content. In both cases, the Ir ion is oxidized from 4 + to 5 + with increasing substitution. Transport and magnetic properties measurements reveal that all compositions are insulating with hysteretic spin-freezing magnetic behavior. Seebeck coefficient measurements reveal a large thermopower change from + 176 μ V /K in La 2 CuIrO 6 to – 223 μ V /K with increasing Ba content in Ba x La 2 – x CuIrO 6 . This behavior is modeled well by the Heikes formula for correlated hopping conduction. ( Ca , Ba ) x La 2 – x CuIrO 6 provides a model system for investigations of other systems with similar carrier sign tuning, with applications toward semiconductors and thermoelectric materials.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Influence of strong Coulomb coupling on diffusion in atmospheric pressure plasmas

Ion diffusion in atmospheric pressure plasmas is examined and particular attention is paid to the fact that ion–ion interactions can be influenced by strong Coulomb coupling. Three regimes are identified. At low ionization fractions (x i ≲ 10 —6 ), standard weakly correlated ion-neutral interactions set the diffusion rate. At moderate ionization fractions (10 —6 ≲ x i ≲ 10 —2 ) there is a transition from ion-neutral to ion–ion collisions setting the diffusion rate. In this regime, the effect of strong Coulomb coupling in ion–ion collisions is accounted for by applying the mean force kinetic theory. Since both ion-neutral and ion–ion interactions contribute a comparable amount to the total diffusion rate, models (such as particle-in-cell or fluid) must account for both contributions. At high ionization fractions (x i ≳ 10 —2 ), strongly correlated ion–ion collisions dominate and the plasma is heated substantially by a disorder-induced heating (DIH) process associated with strong correlations. The temperature increase due to DIH strongly influences the ion diffusion rate. This effect becomes even more important, and occurs at lower ionization fractions, as the pressure increases above atmospheric pressure. In addition to ion diffusion, DIH affects the neutral gas temperature, therefore influencing the neutral diffusion rate. Model predictions are tested using molecular dynamics simulations, which included a Monte Carlo collision routine to simulate the effect of ion-neutral collisions at the lowest ionization fractions. The model and simulations show good agreement over a broad range of ionization fractions. Importantly, the results provide a model for ion diffusion, on a wide range of ionization fractions and pressures, solely considering the elastic contribution to the diffusion coefficient—as an illustration of how strong Coulomb coupling influences diffusion processes in general.

fast neutral gas heating↗
DOE OSTI2021

Solvation Structure and Dynamics of Mg(TFSI) 2 Aqueous Electrolyte

Using ab initio molecular dynamics (AIMD) simulations, classical molecular dynamics (CMD) simulations, small-angle X-ray scattering (SAXS), and pulsed-field gradient nuclear magnetic resonance (PFG-NMR), the solvation structure and ion dynamics of magnesium bis(trifluoromethanesulfonyl)imide (Mg(TFSI) 2 ) aqueous electrolyte at 1, 2, and 3 m concentrations are investigated. From AIMD and CMD simulations, the first solvation shell of an Mg 2+ ion is found to be composed of six water molecules in an octahedral configuration and the solvation shell is rather rigid. The TFSI - ions prefer to stay in the second solvation shell and beyond. Meanwhile, the comparable diffusion coefficients of positive and negative ions in Mg(TFSI) 2 aqueous electrolytes have been observed, which is mainly due to the formation of the stable [Mg(H 2 O) 6 ] 2+ complex, and, as a result, the increased effective Mg ion size. Finally, the calculated correlated transference numbers are lower than the uncorrelated ones even at the low concentration of 2 and 3 m, suggesting the enhanced correlations between ions in the multivalent electrolytes. This work provides a molecular-level understanding of how the solvation structure and multivalency of the ion affect the dynamics and transport properties of the multivalent electrolyte, providing insight for rational designs of electrolytes for improved ion transport properties.

36 MATERIALS SCIENCE↗
DOE OSTI2025

The Effect of Hydrothermal Alteration and Microcracks on Hydraulic Properties and Poroelastic Deformation: A Case Study of the Blue Mountain Geothermal Field

Abstract Geothermal energy plays a vital role in decarbonizing electricity and heat supply. Effective utilization of geothermal resources hinges on identifying or generating permeable reservoir zones and understanding how effective pressure variations affect fluid circulation and reservoir properties by poroelastic deformation. Hydrothermal alteration can modify the petrophysical properties of geothermal reservoir rocks, which may increase or decrease its productivity. Understanding these alteration effects is essential to predict and optimize long‐term sustainable geothermal operations. Here, we investigate the impact of hydrothermal alteration on poroelastic and hydraulic properties of diverse lithologies in a series of deformation tests performed at several confining (0–80 MPa) and pore pressure (10–30 MPa) levels. Experimental results of hydrothermally altered dikes and phyllites obtained from the Blue Mountain geothermal field (Nevada, USA) are compared to thermally cracked La Peyratte granite (France) and correlated with petrophysical properties, mineral composition, and microstructures. Argillic alteration of dikes increases porosity and storage capacity but lowers thermal conductivity and increases pore compressibility. Conversely, silicate precipitation in phyllites increases stiffness and thermal conductivity but also reduces porosity and permeability. Experimentally determined effective pressure coefficients range from 0.1 to 0.9, differ for permeability and volumetric strain and decrease with increasing effective pressure. The presence of compliant microcracks and crack‐like pores significantly increases the stress sensitivity of La Peyratte granite and silicified phyllites. This study demonstrates how thermal and chemical alteration impacts poromechanical and petrophysical characteristics of geothermal targets, which ultimately govern reservoir stability and subsidence, induced seismicity as well as fluid and heat extraction efficiency during geothermal operations.

Schuster, Valerian [Helmholtz Centre Potsdam GFZ G↗
DOE OSTI2025

CFD Simulations of Molten Salts Within Plasma-Facing Components with Twisted Tape Inserts Under One-Sided–Heated Conditions

For liquid immersion blankets (LIBs), the heat removal within different plasma-facing components (PFCs) requires substantial heat removal capabilities that could benefit from the usage of heat transfer enhancements. Of consideration are twisted tape insert heat transfer enhancements that are ribbon-like metal pieces inserted within cooling channels that increase fluid mixing, resulting in higher heat transfer and pressure drop. Unlike traditional applications, PFCs such as divertor coolant tubes experience a significantly higher heat flux on one side versus the other or entirely one-sided heating. These conditions are not well studied for molten salts where the higher Prandtl numbers characteristic of the fluids are significantly higher than water, gases, and liquid metals. As an effort to study this knowledge gap, large eddy simulations were done with Prandtl numbers representative of FLiBe at proposed operating conditions. In this study, the effects of applying a surface heat flux to one side of a tube versus the entire tube with a twisted tape insert were investigated for the heat transfer coefficient and effects on the temperature profile. The findings of the study suggest that for Prandtl number fluids above unity, the Nusselt number was largely unaffected by the change in boundary condition. Both boundary conditions showed good agreement with the Manglik and Bergles Nusselt number correlation for tight-fitting twisted tapes. Finally, the outcomes of this study will be useful for future design studies of LIBs to provide fundamental guidance implementing twisted tape inserts and their performance in one-sided–heated conditions.

molten salts↗
DOE OSTI2021

The SAMI Galaxy Survey: stellar population and structural trends across the Fundamental Plane

ABSTRACT We study the Fundamental Plane (FP) for a volume- and luminosity-limited sample of 560 early-type galaxies from the SAMI survey. Using r-band sizes and luminosities from new multi-Gaussian expansion photometric measurements, and treating luminosity as the dependent variable, the FP has coefficients a = 1.294 ± 0.039, b = 0.912 ± 0.025, and zero-point c = 7.067 ± 0.078. We leverage the high signal-to-noise ratio of SAMI integral field spectroscopy, to determine how structural and stellar population observables affect the scatter about the FP. The FP residuals correlate most strongly (8σ significance) with luminosity-weighted simple stellar population (SSP) age. In contrast, the structural observables surface mass density, rotation-to-dispersion ratio, Sérsic index, and projected shape all show little or no significant correlation. We connect the FP residuals to the empirical relation between age (or stellar mass-to-light ratio Υ⋆ ) and surface mass density, the best predictor of SSP age amongst parameters based on FP observables. We show that the FP residuals (anti)correlate with the residuals of the relation between surface density and Υ⋆ . This correlation implies that part of the FP scatter is due to the broad age and Υ⋆ distribution at any given surface mass density. Using virial mass and Υ⋆, we construct a simulated FP and compare it to the observed FP. We find that, while the empirical relations between observed stellar population relations and FP observables are responsible for most (75 per cent) of the FP scatter, on their own they do not explain the observed tilt of the FP away from the virial plane.

D’Eugenio, Francesco↗
DOE OSTI2021

A continuous metal-insulator transition driven by spin correlations

While Mott insulators induced by Coulomb interactions are a well-recognized class of metal-insulator transitions, insulators purely driven by spin correlations are much less common, as the reduced energy scale often invites competition from other degrees of freedom. Here, we demonstrate a clean example of a spin-correlation-driven metal-insulator transition in the all-in-all-out pyrochlore antiferromagnet Cd 2 Os 2 O 7 , where the lattice symmetry is preserved by the antiferromagnetism. After the antisymmetric linear magnetoresistance from conductive, ferromagnetic domain walls is removed experimentally, the bulk Hall coefficient reveals four Fermi surfaces of both electron and hole types, sequentially departing the Fermi level with decreasing temperature below the Néel temperature, T N = 227 K. In Cd 2 Os 2 O 7 , the charge gap of a continuous metal-insulator transition opens only at T ~ 10 K << T N . The insulating mechanism parallels the Slater picture, but without a folded Brillouin zone, and contrasts sharply with Mott insulators and spin density waves, where the electronic gap opens above and at T N , respectively.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Influence of doping and thickness on domain avalanches in lead zirconate titanate thin films

In undoped lead zirconate titanate films of 1–2 μm thick, domain walls move in clusters with a correlation length of approximately 0.5–2 μm. Band excitation piezoresponse force microscopy mapping of the piezoelectric nonlinearity revealed that niobium (Nb) doping increases the average concentration or mobility of domain walls without changing the cluster area of correlated domain wall motion. In comparison, manganese (Mn) doping reduces the contribution of mobile domain walls to the dielectric and piezoelectric responses without changing the cluster area for correlated motion. In both Nb and Mn doped films, the cluster area increases and the cluster density drops as the film thickness increases from 250 to 1250 nm. This is evident in spatial maps generated from the analysis of irreversible to reversible ratios of the Rayleigh coefficients.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Noble Gas Transport in the MSRE

This study explores the relationship between the physicochemical parameter known as Henry’s gas constant and gas transport across a two-layer film interface. The investigation utilized the Gibbs free energy, incorporating surface and volume terms to elucidate trends in enthalpy and entropy. Notably, our findings align with experimental data and offer predictive insights into the Henry’s gas constants for helium and krypton, which hold significance for future experiments and theoretical developments. Furthermore, this study enhances the Gibbs free energy theory pertaining to the liquid–gas interface. It underscores the substantial contribution of noble gases in this region to volumetric energy as temperature increases. Additionally, we employed Monte Carlo simulations to analyze the effective thermal neutron multiplication factor, denoted as k eff . Our analysis reveals a linear correlation between graphite density and uniform density as a function of temperature. For the 1D Molten Salt Reactor Experiment (MSRE) system, we employed the Mole code to conduct heat and mass transfer calculations. These computations enable us to ascertain the distribution of fuel temperature based on coefficients and thermal properties. We also studied delayed neutron precursors during fuel cycling, taking into account the drift of cycling fuel through Mole–Griffin coupling. Our model represents k eff and β eff across various volume flow rates and salinity compositions. Finally, this study leveraged xenon-135 for continuous on-line monitoring of fuel salts to investigate the impact of steady-state xenon-135 on the MSRE and to better understand its distribution. These efforts build upon previous research related to removal processes.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2025

Developing the Science Basis for Understanding Polymer Encapsulant Degradation Mechanisms: DuraMAT 2.0 Final Project Report

Polymeric encapsulants are essential materials in photovoltaic modules, protecting sensitive electronics from the environment while providing mechanical integrity to the multilayered assembly. However, these polymeric materials are susceptible to degradation processes driven by the ingress of environmental species, ultraviolet radiation, thermal stresses, and mechanical loading. In this study, we employ a combined atomistic simulation and accelerated aging experimental approach to study the molecular-scale mechanisms of encapsulant degradation. Classical molecular dynamics simulations quantify the diffusion of environmental and degradation species through the polymer matrix, producing composition-specific diffusion coefficients. Reactive simulations characterize activation energy barriers and reaction rate constants for key chemical pathways. In parallel, thermal-desorption analyses coupled with mass spectrometry monitor the emergence and concentration profiles of degradation products under controlled stressor conditions. By integrating simulation and experiment, we establish quantitative correlations between polymer composition, species diffusivity, and chemical reactivity. We anticipate that these relations and quantitative values could serve as high-fidelity inputs to reaction-diffusion models, enabling physics-informed lifetime predictions and guiding the design of more durable encapsulant materials for solar energy applications.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Modelling and Simulation of a Thermoelectric Heat Pump with Micro-Channel Heat Transfer

Thermoelectric heat pumps (TEHPs) have advantages of modularity and simple design for heating and cooling in some applications. Models of thermoelectric (TE) heat pumps are widely studied. Nevertheless, most existing modeling work focuses on the TE material or air-sourced TE modules. TEHP modeling, especially the relationship between modules and heat exchangers, has not been comprehensively conducted. This work presents a water-to-water TEHP modeling framework that combines Goldsmid’s approach for TE material performance, Gnielinski’s correlation for convective heat transfer, and thermal balance theory for heat exchange networks. This combined framework provides an accurate theoretical analysis of the water-to-water TEHP system. Subsequently, the framework was used to empirically determine TE material properties (electric resistivity, thermal conductivity, and Seebeck coefficient) that minimize modeling errors versus experimentally observed values from the literature. Finally, an additional set of experimental TEHP data was used to validate the model, all with relative absolute deviations of approximately 10% when predicting heating capacity and 10%–20% when forecasting cooling capacity at a 30 K temperature lift. For future work, people can further develop models of TEHPs with an air-based heat sink on one side and water channels on the other side.

Wan, Hanlong↗
DOE OSTI2024

A dynamic solvent chamber propagation estimation framework using RNN for warm solvent injection in heterogeneous reservoirs

Warm solvent injection (WSI), injecting low-temperature solvent into formations to reduce the viscosity of heavy oil, is a clean technology for heavy oil production through reducing greenhouse gas emissions and water usage. The success of WSI operation depends on the uniform development and propagation of solvent chambers in reservoirs. However, reservoir heterogeneity stemming from shale barriers plays a detrimental role in the conformance of solvent chamber development and oil production rate. In this work, we developed a novel recurrent neural network (RNN)-based framework with the capability of efficiently tracking and estimating the solvent chamber positions in heterogeneous reservoirs based on only production time-series data. The developed estimation model utilizes the “sequence-to-sequence" mapping methodology to correlate observed production time-series sequence and solvent chamber edge sequence via a long short-term memory (LSTM) algorithm. The trained RNN models exhibit high accuracy, evidenced by the predicted dynamic solvent chamber locations match the corresponding true locations from numerical simulation, with a high coefficient of determination (R 2 ) and a low mean squared error. Specifically, the achieved R 2 values exceed 0.98 on both the training and testing data. The developed RNN-based workflow was tested via several cases from both regularly- and irregularly-shaped shale barriers, and the results were promising. The predicted solvent chambers showed strong agreement with those obtained from numerical simulations. The major benefits of this workflow include reducing computational time and saving overall monitoring and tracking costs for conventional techniques. In conclusion, the present work would provide a good demonstration of the capability of practical integration of machine learning methods in solving engineering problems.

58 GEOSCIENCES↗
DOE OSTI2025

Fine structure in the α decay of $^{179}$Hg and $^{177}$Au

Abstract The$$\upalpha $$ α -decay fine structure of$$^{179}$$ 179 Hg and$$^{177}$$ 177 Au was studied by means of decay spectroscopy. Two experiments were performed at the Accelerator Laboratory of the University of Jyväskylä (JYFL), Finland, utilizing the recoil separator RITU and a digital data acquisition system. The heavy-ion induced fusion-evaporation reactions$$^{82}_{36}$$ 36 82 Kr + $$^{100}_{44}$$ 44 100 Ru and$$^{88}_{38}$$ 38 88 Kr + $$^{92}_{42}$$ 42 92 Mo were used to produce the$$^{179}$$ 179 Hg and$$^{177}$$ 177 Au nuclei, respectively. Studying the evaporation residues (ER, recoils)-$$\alpha _1$$ α 1 -$$\alpha _2$$ α 2 correlations and$$\upalpha $$ α -$$\gamma $$ γ coincidences, a new$$\upalpha $$ α decay with E$$_\alpha $$ α = 6156(10) keV was observed from$$^{179}$$ 179 Hg. This decay populates the (9/2$$^-$$ - ) excited state at an excitation energy of 131.3(5) keV in$$^{175}$$ 175 Pt. The internal conversion coefficient for the 131.3(5) keV transition de-exciting this state was measured for the first time. Regarding the$$^{177}$$ 177 Au nucleus, a new$$\upalpha $$ α decay with E$$_\alpha $$ α = 5998(9) keV was observed to populate the 156.1(6) keV excited state in$$^{173}$$ 173 Ir. Two de-excitation paths were observed from this excited state. Moreover, a new 215.7(13) keV transition was observed to depopulate the 424.4(13) keV excited state in$$^{173}$$ 173 Ir. Properties of the$$^{179}$$ 179 Hg and$$^{177}$$ 177 Au$$\upalpha $$ α decays were examined in a framework of reduced widths and hindrance factors. For clarity and simplicity, the spin and parity assignments (e.g.$$J^{\pi }$$ J π ) are presented without brackets throughout the text.

Physics↗
DOE OSTI2021

Heat Transfer and Pressure Drop Characteristics of Water Flow Boiling in Internally Enhanced Tubes

Flow boiling is a critical process for many thermal conversion processes such as HVAC&R, water heating, power generation and desalination applications. The major goal of this paper is to enhance the in-tube heat transfer for flow boiling of water and further improve the efficiency of the boiler. This paper presents an experimental investigation of the heat transfer and pressure drop characteristics for water under forced convection and boiling conditions inside both smooth and enhanced tubes. The results in the smooth copper tube are compared with several correlations and used as a baseline. The two-phase heat transfer and pressure drop performance of the water flow boiling in the internally enhanced tube is investigated, and the influence of internal surface pattern on the thermal characteristics is discussed. The relations of the heat transfer coefficient with mass flux, heat flux and vapor quality are analyzed according to the results.

Yang, Cheng-Min↗
DOE OSTI2024

Heat transfer coefficients of moving particle beds from flow-dependent thermal conductivity and near-wall resistance

Accurate determination of heat transfer coefficients for flowing packed particle beds is essential to the design of particle heat exchangers and other thermal and thermochemical equipment. While such dense granular flows mostly fall into the well-known plug-flow regime, the discrete nature of granular materials alters the thermal transport processes in both the near-wall and bulk regions of flowing particle beds from their stationary counterparts. As a result, heat transfer correlations based on the stationary particle bed thermal conductivity could be inadequate for flowing particles in a heat exchanger. Most earlier works have achieved a reasonable agreement with experiments by treating granular heat transfer media as a plug-flow continuum with a near-wall thermal resistance in series. However, the thermal conductivity values of the continuum were often obtained from measurements on stationary beds owing to the difficulty of flowing bed measurements. In this work, it was found that the properties of a stationary bed are highly sensitive to the method of particle packing and there is a decrease in the particle bed thermal conductivity and increase in the near-wall thermal resistance, measured as an effective air gap thickness, on the onset of particle flow. These variations in thermal conductivity of stationary and flowing particle beds can lead to errors in heat transfer coefficient calculations. Therefore, the heat transfer coefficients for granular flows were calculated using experimentally determined flowing particle bed thermal conductivity and near-wall air gap for ceramic particles – CARBO CP 40/100 (mean diameter = 275 µm), HSP 40/70 (404 µm) and HSP 16/30 (956 µm); at velocities of 5–15 mm·s –1 ; and temperatures of 300–650 °C. The thermal conductivity and air gap values for CP 40/100 and HSP 40/70 were further used to calculate heat transfer coefficients across different particle bed temperatures and velocities for different parallel-plate heat exchanger dimensions. Furthermore, these calculations, which show good agreement with measured HTC values reported in literature, can be used as a guide for heat exchanger designs. Graphical abstract

14 SOLAR ENERGY↗
DOE OSTI2026

Insights into Rotational and Translational Dynamics in Mixtures of Ethylene Glycol and Choline Chloride Using Nuclear Magnetic Resonance Techniques

This work examines molecular dynamics and interactions in ethylene glycol–choline chloride (EG–ChCl) mixtures across 0–33 mol % ChCl, spanning the true eutectic region near 17–20 mol % and the commonly used 1:2 formulation. We combine pulsed-field-gradient (PFG) diffusion, fast-field-cycling (FFC) relaxometry, temperature-dependent 13 C T 1 , and nuclear Overhauser effect spectroscopy (NOESY) to disentangle local from macroscopic dynamics. PFG and FFC show that both translational and average rotational motions largely track the strong increase in viscosity with ChCl content, with ethylene glycol consistently diffusing faster than the choline cation and no global dynamical anomaly at the eutectic composition. More subtle, site-specific composition effects nevertheless emerge. The ratio of the diffusion coefficient of the hydroxyl group of choline to the diffusion coefficient of the methyl group of choline displays a shallow minimum in the 17–25 mol % region, indicating a modest change in how the hydroxyl-bearing end of choline samples the underlying translational motion relative to the methyl groups. 13 C T 1 analysis shows that rotational correlation times at 25 °C generally increase with ChCl, reflecting viscosity-coupled slowing, while the CH 2 –N α site exhibits a small but reproducible deviation from this monotonic trend near the eutectic. NOESY spectra at similar compositions reveal enhanced cross-relaxation between EG and choline protons, consistent with increased headgroup–solvent contact density rather than a wholesale structural rearrangement. Overall, our multitechnique study demonstrates that EG–ChCl dynamics are predominantly viscosity-dominated, with the eutectic region acting as a subtle dynamical crossover where specific choline segments become maximally coupled to the hydrogen-bond network. These insights refine the structure–dynamics picture of choline-chloride DESs and provide practical guidance for tuning composition in electrochemical, separation, and catalytic applications.

diffusion↗