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At least 649 records · Page 36

Distinctive features of structural evolution and thermodynamic response in wide-bandgap semiconductors driven by intense electronic excitation

Radiation-tolerant material selection requires balancing lattice rigidity, defect dynamics, and electronic stability, as shown by covalent SiC outperforming ionic Ga 2 O 3 and GaN under extreme environments. Responding to intense electronic excitation, irradiation-driven phase segregation (β → δ/κ in Ga 2 O 3 ) and core–shell track (disordered structure in GaN), accompanied by elemental redistribution, contrastingly, exceptional radiation tolerance manifested by comparatively minimal lattice distortion (0.17 % strain variation) was demonstrated in SiC. These differential responses are primarily attributed to two fundamental mechanisms: (i) thermodynamic driving forces governing defect migration and phase separation, and (ii) the synergistic effects of robust covalent bonding composition coupled with efficient defect recombination processes. Here, the stronger electron–phonon (e-ph) coupling in Ga 2 O 3 (4.34 × 1018 W m −3 K −1 ) and GaN (3.55 × 10 18 W m −3 K −1 ) enhances lattice energy deposition, triggering thermal spikes (ΔT ≫ T m ) and structural transition behaviors, whereas weaker e-ph coupling in SiC (3.69 × 10 18 W m −3 K −1 ), relatively high thermodynamic parameters and efficient energy dissipation suppress thermal spikes to maintaining lattice integrity. The photoresponse degradation driven by enhanced radiative recombination is dominant in N-doped SiC, while V-doped systems achieve defect-mediated photoconduction optimization characterized by abrupt current transitions, matching fluorescence yield evolutions, and directly connecting defect engineering to optoelectronic performance.

Intense electronic excitation↗

Enzymatic and thermodynamic profiles of a heterotetramer lactate dehydrogenase isozyme in swine

Lactate dehydrogenase (LDH) is a glycolytic enzyme that catalyzes the final step of glycolysis and produces NAD{sup +}. In somatic cells, LDH forms homotetramers and heterotetramers that are encoded by two different genes: LDHA (skeletal muscle type, M) and LDHB (heart type, H). Analysis of LDH isozymes is important for understanding the physiological role of homotetramers and heterotetramers and for optimizing inhibition of their enzymatic activity as it may result in distinct effects. Previously, we reported that hydroxychloroquine (HCQ) inhibited LDH activity, but we did not examine isozyme specificity. In the present study, we isolated heterotetrameric LDH (H{sub 2}M{sub 2}) from swine brain, determined its kinetic and thermodynamic properties, and examined the effect of HCQ on its activity compared to homotetrameric LDH isozymes. We show that: (1) the K{sub m} values for H{sub 2}M{sub 2}–mediated catalysis of pyruvate or lactate were intermediate compared to those for the homotetrameric isozymes, M{sub 4} and H{sub 4} whereas the V{sub max} values were similar; (2) the K{sub m} and V{sub max} values for H{sub 2}M{sub 2}–mediated catalysis of NADH were not significantly different among LDH isozymes; (3) the values for activation energy and van't Hoff enthalpy changes for pyruvate reduction of H{sub 2}M{sub 2} were intermediate compared to those for the homotetrameric isozymes; (4) the temperature for half residual activity of H{sub 2}M{sub 2} was closer to that for M{sub 4} than for H{sub 4}. We also show that HCQ had different affinities for various LDH isozymes. - Highlights: • Heterotetrameric (H{sub 2}M{sub 2}) LDH isozyme was isolated from swine brain. • Kinetics of H{sub 2}M{sub 2} were intermediate between the two homotetramers. • Thermodynamics of H{sub 2}M{sub 2} were also intermediate between the two homotetramers. • Hydroxychloroquine inhibited more strongly H{sub 2}M{sub 2} than homotetramers.

60 APPLIED LIFE SCIENCES↗

Thermodynamic modeling of the La-Te system aided by first-principles calculations

A complete thermodynamic description of the La-Te binary system is developed by means of CALculation of PHAse Diagram (CALPHAD) method in combination with available experimental data in the literature and the present first-principles calculations based on density functional theory. The intermetallic phases with homogeneity ranges, La3-xTe4 and LaTe2-x, are modeled using a two-sublattice (La,Va)3(Te)4 model and a three-sublattice (La)1(Te)1(Te,Va)1 model based on their structure features, respectively. The intermetallic phases, LaTe and LaTe3, are treated as stoichiometric compounds. The thermodynamic properties of the intermetallic compounds and their corresponding end members at finite temperatures are predicted using first-principles quasi-harmonic approach. The associate solution model is used to describe the short-range ordering behavior of the liquid phase. The calculated phase diagram agrees well with the available phase equilibrium data in the literature.

Chemistry↗

Thermodynamic modeling of the Pd–Zn system with uncertainty quantification and its implication to tailor catalysts

Pd–Zn intermetallic catalysts show encouraging combinations of activity and selectivity on well-defined active site ensembles. Thermodynamic description of the Pd–Zn system, delineating phase boundaries and enumerating site occupancies within intermediate alloy phases, is essential to determining the ensembles of Pd–Zn atoms as a function of composition and temperature. Combining the present extensive first-principles calculations based on density functional theory (DFT) and available experimental data, the Pd–Zn system was remodeled using the CALculation of PHAse Diagrams (CALPHAD) approach. High throughput modeling tools with uncertainty quantification, i.e., ESPEI and PyCalphad, were incorporated in the phase analysis. Here, the site occupancies across the γ phase composition region were given special attention. A four-sublattice model was used for the γ phase owing to its four Wyckoff positions, i.e., the outer tetrahedral (OT) site 8c, the inner tetrahedral (IT) site 8c, the octahedral (OH) site 12e, and the cuboctahedral (CO) site 24g. The site fractions of Pd and Zn calculated from the present thermodynamic model show the occupancy preference of Pd in the OT and OH sublattices in agreement with experimental observations. The force constants obtained from DFT-based phonon calculations further supports the tendency of Pd occupying the OH sublattice compared with the IT and CO sublattice. The catalytic ensembles changing from Pd monomers (Pd 1 ) to trimers (Pd 3 ) on the surface of γ phase are attributed to the increase of Pd occupancy in the OH sublattice.

36 MATERIALS SCIENCE↗

A thermodynamic model for C-(N-)A-S-H gel: CNASH{sub s}s. Derivation and validation

The main reaction product in Ca-rich alkali-activated cements and hybrid Portland cement (PC)-based materials is a calcium (alkali) aluminosilicate hydrate (C-(N-)A-S-H) gel. Thermodynamic models without explicit definitions of structurally-incorporated Al species have been used in numerous past studies to describe this gel, but offer limited ability to simulate the chemistry of blended PC materials and alkali-activated cements. Here, a thermodynamic model for C-(N-)A-S-H gel is derived and parameterised to describe solubility data for the CaO–(Na{sub 2}O,Al{sub 2}O{sub 3})–SiO{sub 2}–H{sub 2}O systems and alkali-activated slag (AAS) cements, and chemical composition data for C-A-S-H gels. Simulated C-(N-)A-S-H gel densities and molar volumes are consistent with the corresponding values reported for AAS cements, meaning that the model can be used to describe chemical shrinkage in these materials. Therefore, this model can provide insight into the chemistry of AAS cements at advanced ages, which is important for understanding the long-term durability of these materials.

36 MATERIALS SCIENCE↗

Interactions between hydrated cement paste and organic acids: Thermodynamic data and speciation modeling

Interactions of short-chain organic acids with hydrated cement phases affect structure durability in the agro-food and nuclear waste industries but can also be used to modify cement properties. Most previous studies have been experimental, performed at fixed concentrations and pH, without quantitatively discriminating among polyacidity effects, or complexation and salt precipitation processes. This paper addresses such issues by thermodynamic equilibrium calculations for acetic, citric, oxalic, succinic acids and a simplified hydrated CEM-I. The thermodynamic constants collected from the literature allow the speciation to be modeled over a wide range of pH and concentrations. Citric and oxalic had a stronger chelating effect than acetic acid, while succinic acid was intermediate. Similarly, Ca-citrate and Ca-oxalate salts were more insoluble than Ca-acetate and Ca-succinate salts. Regarding aluminium complexation, hydroxyls, sulfates, and acid competition was highlighted. The exploration of acid mixtures showed the preponderant effect of oxalate and citrate over acetate and succinate.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Thermodynamic modeling of hydrated white Portland cement–metakaolin–limestone blends utilizing hydration kinetics from {sup 29}Si MAS NMR spectroscopy

Hydration kinetics for the principal phases of Portland cement blends have been incorporated in thermodynamic modeling (GEMS package), utilizing degrees of hydration from {sup 29}Si MAS NMR. An empirical relationship for the reaction of these phases is established which includes three variable parameters that all can be estimated from the degrees of hydration. This approach is compared with thermodynamic equilibrium modeling (full hydration) for white Portland cement–metakaolin (0–30 wt.%) blends and for ternary blends of white Portland cement (65 wt.%)–metakaolin–limestone. The predicted phase assemblages have been compared with the phases identified by XRD, {sup 27}Al and {sup 29}Si MAS NMR which reveals that the incorporation of hydration kinetics improves the agreement between modeling and experiments. The results show also that the formation of strätlingite depends critically on the quantity of charge-balancing anions in the AFm phases, especially carbonate and sulfate anions, and on the degree of hydration for metakaolin.

36 MATERIALS SCIENCE↗

Coupling of chemical kinetics and thermodynamics for simulations of leaching of cement paste in ammonium nitrate solution

A novel numerical method is proposed in this paper to model the leaching of various types of cement pastes in the ammonium nitrate solution by coupling chemical kinetics with chemical thermodynamics. Arrhenius equation and Eyring equation are applied to predict the rate constant of fast dissolution of portlandite in the ammonium nitrate, and a modified rate law is developed by incorporating the saturation ratio of the reaction. The estimations of leached depths from the proposed method comply with the well-known square root-time relationship and they also agree well with the reported experimental results. Moreover, the evolutions of porosity and major hydrate compositions during leaching are obtained. It is found that a simple linear relation exists for the acceleration factor of leaching in 6 M of ammonium nitrate with respect to leaching in pure water regardless of the type of the cement clinker. - Highlights: • Chemical kinetics and thermodynamics are coupled to simulate the accelerated leaching. • The proposed method generates good estimations for leached depths and changes of porosity. • The proposed method can predict the detailed distributions of all the major cement hydrates. • A simple linear relation exists for predicting the widely scattered acceleration factors.

36 MATERIALS SCIENCE↗

Ab initio thermodynamics of Ni and Co incorporation in Mg hydroxide, carbonate, and hydroxycarbonate minerals

Ni and Co are critical elements needed for modern technologies, and a better understanding of the ability of Mg-based minerals to incorporate these elements would benefit strategy development for Ni and Co recovery from mafic and ultramafic deposits. Here, in this work, we performed density functional theory (DFT) calculations of Ni and Co incorporation in six potential products of the carbonation of mafic and ultramafic silicates: brucite (Mg(OH) 2 ), magnesite (MgCO 3 ), nesquehonite (MgCO 3 ⸱3H 2 O), lansfordite (MgCO 3 ⸱5H 2 O), artinite (Mg 2 CO 3 (OH) 2 ⸱3H 2 O), and hydromagnesite (Mg 5 (CO 3 ) 4 (OH) 2 ⸱4H 2 O). The DFT results were used in an ab initio thermodynamics framework to explore the pH 2 O–pCO 2 conditions at which the Mg-based minerals were predicted to be thermodynamically stable and to quantify the Gibbs free energy of Ni and Co substitution at Mg sites. Among the six Mg-based minerals, brucite and magnesite were predicted to have the lowest Ni and Co substitution free energy. An analysis of the effect of temperature indicated that, at low temperature (<100 K), brucite more readily accommodated Ni and Co, while, at higher temperature (>335 K), magnesite more favorably incorporated Ni and Co. Between 100 K and 335 K, Ni was predicted to preferentially substitute for Mg in brucite and Co for Mg in magnesite, thus leading to a driving force for separating Ni and Co in conditions where brucite and magnesite both form. Insights gained in this work could therefore help select experimental conditions that either promote or inhibit incorporation of these critical elements into Mg-based mineral phases.

Critical elements↗

Adsorption of terbium (III) on DGA and LN resins: Thermodynamics, isotherms, and kinetics

Two commercially available extraction chromatography (EXC) resins containing N,N,N’,N’-tetra-n-octyldiglycolamide (DGA Resin, Normal, 50 – 100 μm) and Bis(2-ethylhexyl) phosphate (LN Resin, 100 – 150 μm) were used as adsorbents to study fundamental adsorption properties such as thermodynamic values, equilibrium isotherms, and kinetic uptake models for terbium(III) adsorption. Weight distribution ratios (D w ) for terbium on DGA and LN resins were measured using a [ 160 Tb]Tb 3+ radiometric tracer in nitric acid as a function of acidity, temperature, initial analyte concentration, and equilibrium time. The D w values showed increasing binding affinity for DGA resin at high nitric acid concentrations and decreasing binding affinity for LN resins. Thermodynamic studies for DGA and LN resins revealed that the Gibbs free energy (ΔG) increased consistently with temperature. To model equilibrium data, increasingly higher parameter equilibrium isotherm models (Henry (1) < Langmuir, Freundlich (2) < Redlich-Peterson (3) < Fritz-Schluender (4)) were compared on their root mean squared errors (RMSE) and adjusted determination coefficients to determine the most applicable model. In all cases, the empirical four-parameter Fritz-Schluender isotherm demonstrated a superior fit. Similar comparisons for reaction-based kinetic models (Pseudo-first-order < Pseudo-second-order < Pseudo-n-order) revealed that the higher-order PNO model yielded a superior fit of kinetic data for both resins. Furthermore, in some cases, adsorption isotherms and kinetic models could also be modeled by a lower-order model with minimal change in error parameters. Weber-Morris plots revealed that two linear sections are observed for each resin, where the first linear segment is attributed to fast (film diffusion) adsorption of terbium, followed by slower intraparticle diffusion of terbium through the pores as the rate-limiting step. Based on the Weber-Morris plot, both film and intraparticle diffusion are involved in controlling the kinetic rate of adsorption for DGA and LN resins.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

tLaSDI: Thermodynamics-informed latent space dynamics identification

Here we propose a latent space dynamics identification method, namely tLaSDI, that embeds the first and second principles of thermodynamics. The latent variables are learned through an autoencoder as a nonlinear dimension reduction model. The latent dynamics are constructed by a neural network-based model that precisely preserves certain structures for the thermodynamic laws through the GENERIC formalism. An abstract error estimate is established, which provides a new loss formulation involving the Jacobian computation of autoencoder. The autoencoder and the latent dynamics are simultaneously trained to minimize the new loss. Computational examples demonstrate the effectiveness of tLaSDI, which exhibits robust generalization ability, even in extrapolation. In addition, an intriguing correlation is empirically observed between a quantity from tLaSDI in the latent space and the behaviors of the full-state solution.

97 MATHEMATICS AND COMPUTING↗

Investigation of the discontinuous precipitation of U-Nb alloys via thermodynamic analysis and phase-field modeling

U-Nb’s discontinuous precipitation, $\gamma^{bcc}_{matrix}$, $\alpha^{orth}_{cellular}$, $\gamma\prime^{bcc}_{cellular}$, is intriguing in the sense that it allows formation and growth of the metastable $\gamma\prime$ phase during the course of its occurrence. Previous attempts to explain the thermodynamic origin of U-Nb’s discontinuous precipitation hypothesized that the energy of $\alpha$ forms an intermediate common tangent with the first potential of the double-well energy of $\gamma$ at the $\gamma\prime$ composition. In this work, we examine different possible mechanisms by which the discontinuous precipitation product in the U-Nb system can be stabilized. We put forward a mechanism by which the bulk free energy of the $\gamma$ can develop a non-monotonic dependency with composition. Additionally we posit that local contributions due to lattice mismatch between the $\alpha$ and $\gamma$ phases may be responsible for the generation of metastable states that may stabilized by thermodynamics as well as by kinetics. Our work suggests that local misfit strain tends to play a crucial role in the growth of the discontinuous precipitation product. Depending on the magnitude of strain developed at the $\alpha$/$\gamma\prime$ interfaces, either an increasing $\gamma\prime$ composition or a random distribution of $\gamma\prime$ compositions around the equiatomic value with respect to increasing temperature could be expected. Moreover, we show how it is possible to stabilize the discontinuous precipitation front through highly anisotropic and fast interface diffusion.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Relationships between CO 2 , thermodynamic limits on silicate weathering, and the strength of the silicate weathering feedback

Recent studies have suggested that thermodynamic limitations on chemical weathering rates exert a first-order control on riverine solute fluxes and by extension, global chemical weathering rates. As such, these limitations may play a prominent role in the regulation of carbon dioxide levels (pCO 2 ) over geologic timescales by constraining the maximum global weathering flux. In this study, we develop a theoretical scaling relationship between equilibrium solute concentrations and pCO 2 based on equilibrium constants and reaction stoichiometry relating primary mineral dissolution and secondary mineral precipitation. Here, we test this theoretical scaling relationship against reactive transport simulations of chemical weathering profiles under open-and closed-system conditions, representing partially and fully water-saturated regolith, respectively. Under open-system conditions, equilibrium bicarbonate concentrations vary as a power-law function of pCO 2 (y =kx n )where nis dependent on reaction stoichiometry and kis dependent on both reaction stoichiometry and the equilibrium constant. Under closed-system conditions, bicarbonate concentrations vary linearly with pCO 2 at low values and approach open-system scaling at high pCO 2 . To describe the potential role of thermodynamic limitations in the global silicate weathering feedback, we develop a new mathematical framework to assess weathering feedback strength in terms of both (1) steady-state atmospheric pCO 2 concentrations, and (2) susceptibility to secular changes in degassing rates and transient carbon cycle perturbations, which we term 1st and 2nd order feedback strength, respectively. Finally, we discuss the implications of these results for the effects of vascular land plant evolution on feedback strength, the potential role of vegetation in controlling modern solute fluxes, and the application of these frameworks to a more complete functional description of the silicate weathering feedback. Most notably, the dependence of equilibrium solute concentrations on pCO 2 may represent a direct weathering feedback largely independent of climate and modulated by belowground organic carbon respiration.

58 GEOSCIENCES↗

A thermodynamic model to predict the aqueous solubility of hydrocarbon mixtures at two-phase hydrate-liquid water equilibrium

In order to understand the fate and transport of hydrocarbons and hydrocarbon mixtures in the deep sea and underlying sediments it requires an accurate determination of the two-phase hydrate (H)-liquid water (L w ) thermodynamic equilibrium in the absence of a free gas phase. In addition to controlling hydrate formation directly from the aqueous phase, the H-L w equilibrium provides the aqueous solubility of dissolving hydrate. The aqueous solubility of hydrocarbon mixture at H-L w equilibrium was calculated based on the van der Waals and Platteeuw statistical thermodynamic model and the Holder model. Langmuir constants were calculated from cell potential parameters obtained from ab initio intermolecular potentials and thus the model contains no fitting parameters. The model accurately predicts pure methane, ethane, and propane experimental H-L w equilibrium solubility data, including new data provided here for methane. Here, we present hydrocarbon solubilities in water and seawater at H-L w equilibrium at deep sea conditions for both methane and a thermogenic mixture based on the methane–ethane–propane ratio from the 2010 Macondo oil spill. We also present model predictions of the proportion of occupied large and small cages at H-L w equilibrium for both systems, as well as hydrocarbon ratios in the hydrate phase for the thermogenic mixture.

58 GEOSCIENCES↗

Thermodynamic modeling of calcium carbonate scale precipitation: aqueous Na + -Ca 2+ -Cl – -HCO 3 – -CO 3 2– -CO 2 system

To allow for accurate calculations of calcium carbonate scaling in highly saline produced waters, we present a comprehensive thermodynamic model based on the electrolyte nonrandom two-liquid (eNRTL) activity coefficient equation for the aqueous Na ⁺ -Ca ²⁺ -Cl – -HCO 3 – -CO 3 ²– -CO 2 system. The eNRTL binary interaction parameters for the H 2 O:(Na ⁺ -CO 3 2– ) pair, the H 2 O:(Na ⁺ -HCO 3 – ) pair, the (Na⁺-Cl–):(Na ⁺ -CO 3 2– ) pair, and the (Na ⁺ -Cl – ):(Na ⁺ -HCO 3 – ) pair are identified in this work via the regression of thermodynamic, calorimetric, and phase equilibria experimental data. The binary interaction parameters associated with the H 2 O:(Na ⁺ -Cl – ) pair, the CO 2 :(Na ⁺ -Cl – ) pair, the H 2 O:(Ca ²⁺ -Cl – ) pair, and the (Na ⁺ -Cl – ):(Ca ²⁺ -Cl – ) pair are retrieved from the literature. The remaining binary interaction parameters are retrieved from Aspen Plus or set to zero. In addition, the solubility product constants are identified for Na 2 CO 3 ·10H 2 O (s) , Na 2 CO 3 · 7H 2 O (s) , Na 2 CO 3 ·H 2 O (s) , Na 2 CO 3 ·NaHCO 3 2H 2 O (s) , Na 2 CO 3 ·3NaHCO 3 (s) , and CaCO 3(s) via regression of solubility data. Here, the model is capable of accurately calculating all phase equilibria and calorimetric properties at temperatures up to 473.15 K and salt concentrations up to saturation.

42 ENGINEERING↗

Thermodynamic modeling of aqueous lithium salt solutions with association electrolyte nonrandom two-liquid activity coefficient model

The high charge density of lithium ion and the resulting strong association phenomena make thermodynamic modeling of aqueous lithium electrolyte solutions extremely challenging. In this study, the association electrolyte nonrandom two-liquid activity coefficient model of Lin et al. (AIChE J. 2022, 68(2), e17422) is utilized to correlate and predict thermodynamic properties and solubility behavior of aqueous single electrolyte solutions of LiCl, LiBr, LiI, and LiNO 3 , and their mixed electrolyte solutions. Capturing self-association of water, cross-association of ion and water for hydration, and cross-association of cation and anion for ion-pairing, the association model accurately represents the literature experimental data up to saturation concentrations and at the temperature ranging from 263 K to 523 K. Here, this study further investigated the effect of anions of the lithium salts, and re-confirmed that the order of solution non-ideality as LiI > LiBr > LiCl > LiNO 3 because the anions with stronger association strengths are more likely to form ion pairs and thus lower the mean ionic activity coefficients.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Thermodynamic modeling of aqueous acetic acid, butyric acid, and lactic acid solutions

Based on the activity coefficient – fugacity coefficient approach, a rigorous thermodynamic modeling study is presented for accurate correlation of vapor-liquid equilibrium data of aqueous solutions of acetic acid (293 to 391 K), butyric acid (325 to 436 K), lactic acid (378 to 409 K), and acetic acid + butyric acid binary mixture (358 to 421 K). In addition, the pH data of the three aqueous, single carboxylic acid solutions were measured at 298 to 328 K and successfully correlated. Given that these aqueous carboxylic acid solutions exhibit various degrees of association behavior in both vapor and liquid phases, the thermodynamic models considered for this study include the Redlich-Kwong equation of state (RK-EoS) and the Hayden-O’Connell equation of state (HOC-EoS) for the vapor phase fugacity coefficients and the electrolyte non-random two-liquid model (eNRTL) and the association electrolyte non-random two-liquid model (AeNRTL) for the liquid phase activity coefficients. The combination of the HOC-EoS for the vapor phase and the AeNRTL model for the liquid phase is found to provide the best correlation results, consistent with the fact that the HOC-EoS and the AeNRTL model explicitly account for association behaviors in the vapor phase and the liquid phase, respectively.

09 BIOMASS FUELS↗

Thermodynamic assessment of an electrically-enhanced thermochemical hydrogen production (EETHP) concept for renewable hydrogen generation

A novel concept for coupling a thermochemical cycle with an electrochemical separation device for the generation of hydrogen from steam is reported and a thermodynamic analysis of the system is presented. In a conventional thermochemical cycle, an oxygen carrier material is thermally reduced, cooled, and then reoxidized in steam thereby generating hydrogen. However, this process often requires high temperatures (>1700 K) and/or low oxygen partial pressures (<0.001 atm) in order to meet thermodynamic requirements. Such extreme conditions can adversely affect the stability of the reactive oxides, reactor materials, and system efficiency. In our proposed technology, we seek to decrease the required reduction temperature by several hundred degrees Kelvin by relaxing the requirement for spontaneous oxidation reaction at atmospheric pressure. This is accomplished by incorporating a proton-conducting membrane (PCM) to separate hydrogen produced at equilibrium concentrations from reactant steam. We also suggest the use of mixed ionic-electronic conducting (MIEC) oxygen carrier materials that reduce through a continuum of oxidation states at lower temperatures (~1200 °C). In conclusion, this concept allows the generation of a high-quality hydrogen stream while avoiding the challenging high temperatures/low partial pressures required in conventional water-splitting reaction schemes.

08 HYDROGEN↗