Full Equilibrium Research Articles

Full non-LTE spectral line formation

In the present paper we consider the full nonlocal thermodynamic equilibrium (non-LTE) radiation transfer problem. This formalism allows us to account for deviation from equilibrium distribution of both the radiation field and the massive particles. In the present study, two-level atoms with broadened upper level represent the massive particles. In the absence of velocity-changing collisions, we demonstrate the analytic equivalence of the full non-LTE source function with the corresponding standard non-LTE partial frequency redistribution (PFR) model. We present an iterative method based on operator splitting techniques that can be used to numerically solve the problem at hand. We benchmark it against the standard non-LTE transfer problem for a two-level atom with PFR. We illustrate the deviation of the velocity distribution function of excited atoms from the equilibrium distribution. We also discuss the dependence of the emission profile and the velocity distribution function on elastic collisions and velocity-changing collisions.

Identifying the genesis of hydrothermal activities in the Xiangcheng fault belt, southwestern China: Evidence from hydrochemistry and stable isotopes

Regional faults are beneficial structures for the formation of hydrothermal activities and have thus become target areas for geothermal resource utilization. Numerous hydrothermal activities have been reported along the Xiangcheng fault belt, particularly concentrating in the Batang, Xiangcheng and Shangri-La areas. In this study, hydrochemistry and stable isotopes were used to identify the genesis of hydrothermal activities in the Xiangcheng fault belt. The pH values of the geothermal water in these regions gradually decreases in this order, while the total dissolved solids gradually increase. The δD and δ18O values indicate the geothermal waters are mainly originated from snowmelt water and meteoric water. The recharge elevation of geothermal waters in Batang, Xiangcheng, and Shangri-La was 4415–4904 m, 4585–5038 m, and 3673–3969 m, respectively. Most geothermal waters belong to the hydrochemical type HCO3-Na, however some Batang geothermal water is of the SO4·HCO3-Na type, influenced by deep geothermal gas, and some Shangri-La geothermal water is of HCO3-Ca·Na type, influenced by shallow cold water and dissolution of carbonate rocks. Correlations of major ions suggest that HCO3-Na type geothermal waters are determined by the dissolution of paragonite, K-feldspar and albite as well as positive ion exchange. According to Na-K-Mg triangle diagram and mineral saturation indices, the geothermal waters do not reach full equilibrium and are mixed with shallow cold. Geothermometers, including cationic and SiO2, and geochemical thermodynamic calculations indicate that the deep and shallow reservoir temperatures are 200–240 °C and 169–193 °C for the Batang area, 194–201 °C and 119–131 °C for the Xiangcheng area, and 156–178 °C and 100–109 °C for the Shangri-La area. Conceptual models of the genesis of hydrothermal activities in the Batang, Xiangcheng, and Shangri-La areas were constructed, respectively. CaCO3 scaling is dominated in the study area. The hydrothermal activities of Batang and Xiangcheng areas with enriched deep materials and high reservoir temperatures are beneficial for rare-alkali metal (e.g., Li). The findings of this study provide a scientific basis for the development and utilization of geothermal resources in the high-temperature hydrothermal activity areas of western Sichuan.

P-T paths of contact metamorphism constraints on emplacement mechanism of magmas of the zoned Fangshan granitic Plutons, Zhoukoudian, Western Hills of Beijing, China

P-T path of a contact aureole can provide important insights into the magma emplacement mechanism for nearly concentrically zoned granitic plutons. The Mesoproterozoic Xiamaling formation immediately adjacent to the southern Fangshan granitic Plutons in the Western Hills of Beijing, China, developed three contact metamorphic prograde staurolite zone, sillimanite zone and K-feldspar zone. These zones preserved corroded pink-andalusite wrapped by pale-andalusite, corroded garnet inclusion inside the K-feldspar porphyroblasts and staurolite, which add to well-established sequences of mineral growth. These sequences allow reconstruction of the complete P-T path for each prograde zone on the pseudosection diagram obtained by full system composition-based phase equilibrium modeling The resultant prograde P-T paths are composed of two segments, with the first one isobaric heating and the second distinct compression and heating. The staurolite zone shows the P-T path initiating from ∼2.0 kbar/350 °C to ∼1.8 kbar/510 °C and ending at ∼3.3 kbar/580 °C. The sillimanite zone path began from ∼2.0 kbar/350 °C to ∼1.5 kbar/500 °C then ended at ∼3.8 kbar/580 °C. The K-feldspar zone path started from ∼2.0 kbar/350 °C to ∼1.7 kbar/510 °C, then terminated at ∼3.5 kbar/670 °C, approaching the initial partial melting temperature condition, then documented a retrograde path cooling down to ∼630 °C. The two prograde P-T path segments of the three zones suggest a in situ heating followed by a ductile return flow from ∼7 km down to ∼11 km depth of the metapelites from the Xiamaling formation, responsable to a diapiric emplacement of the magmas for the zoned composite Fangshan Plutons.

Full household equilibrium

AbstractDeveloping ideas suggested by James Meade, Harry Johnson and Neil Laing, we argue that when one compares alternative long‐period positions, as in the work‐horse two commodity, two primary input model, the household's expenditure and the prices of the commodities purchased cannot be treated as independent variables. We call such a full adaptation of households to consistent price configurations ‘full household equilibrium’. It is found that, at both the household and the aggregate levels, the purchased quantity of a ‘normal’ commodity can increase when its relative price rises. This basic result is readily applied both to aspects of welfare theory and to international trade theory.

Harnessing the joint effect of approach bridges in arch bridge construction: an analytical study on thrust stiffness and elevation error mitigation

Achieving full equilibrium for the horizontal component force of the backstay in cable-stayed arch bridges is challenging, and the stiffness of the buckle tower has a notable influence on the overall shape of the main arch structure. Increased stiffness in the buckle tower leads to reduced construction complexity. Therefore, this study proposed a method of enhancing the longitudinal thrust stiffness of the buckle tower using the joint effect of approach bridges. A sensitivity analysis was conducted on the approach bridge–composite buckle tower structure to determine the optimal combination method, resulting in the formulation of an analytical expression for the thrust stiffness of this structure. In this study, numerical analysis was performed to explore the composition mechanism of the thrust stiffness influenced by the pier–girder connection, and we discussed the applicability of the joint effect of approach bridges during the cantilever assembly process of arch ribs. The following conclusions were obtained: 1) prior to installing the main girder of the approach bridge, when the steel buckle tower and the junction pier have already been secured, the most effective approach is to form a “T” rigid structure by firmly connecting the main girder of the approach bridge with the composite buckle tower. This configuration provides self-weight deflection and pier–girder rotation restriction effects. 2) The study presents analytical formulas for the completely rigid pier–girder connection of the approach bridge–composite buckle tower structure, partially rigid pier–girder connection, and pre-deviation. Combined with the calculation program, this can guide structural design. 3) When a large downward elevation error of the arch ribs occurs in the middle and later stages, the cable force needed to install new arch segments becomes overly large. Therefore, the joint effect of approach bridges can be utilized to substitute for a portion of the cable force, effectively reducing potential elevation errors that might arise in subsequent arch ribs in the absence of this joint effect.

Optimal dispersal and diffusion-enhanced robustness in two-patch metapopulations: origin’s saddle-source nature matters

A two-patch logistic metapopulation model is investigated both analytically and numerically focusing on the impact of dispersal on population dynamics. First, the dependence of the global dynamics on the stability type of the full extinction equilibrium point is tackled. Then, the behaviour of the total population with respect to the dispersal is studied analytically. Our findings demonstrate that diffusion plays a crucial role in the preservation of both subpopulations and the full metapopulation under the presence of stochastic perturbations. At low diffusion, the origin is a repulsor, causing the orbits to flow nearly parallel to the axes, risking stochastic extinctions. Higher diffusion turns the repeller into a saddle point. Orbits then quickly converge to the saddle’s unstable manifold, reducing extinction chances. This change in the vector field enhances metapopulation robustness. On the other hand, the well-known fact that asymmetric conditions on the patches is beneficial for the total population is further investigated. This phenomenon has been studied in previous works for large enough or small enough values of the dispersal. In this work, we complete the theory for all values of the dispersal. In particular, we derive analytically a formula for the optimal value of the dispersal that maximizes the total population.

External field-driven property localization in liquids of responsive macromolecules.

We explore theoretically the effects of external potentials on the spatial distribution of particle properties in a liquid of explicitly responsive macromolecules. In particular, we focus on the bistable particle size as a coarse-grained internal degree of freedom (DoF, or "property"), σ, that moves in a bimodal energy landscape, in order to model the response of a state-switching (big-to-small) macromolecular liquid to external stimuli. We employ a mean-field density functional theory (DFT) that provides the full inhomogeneous equilibrium distributions of a one-component model system of responsive colloids (RCs) interacting with a Gaussian pair potential. For systems confined between two parallel hard walls, we observe and rationalize a significant localization of the big particle state close to the walls, with pressures described by an exact RC wall theorem. Application of more complex external potentials, such as linear (gravitational), osmotic, and Hamaker potentials, promotes even stronger particle size segregation, in which macromolecules of different size are localized in different spatial regions. Importantly, we demonstrate how the degree of responsiveness of the particle size and its coupling to the external potential tune the position-dependent size distribution. The DFT predictions are corroborated by Brownian dynamics simulations. Our study highlights the fact that particle responsiveness can be used to localize liquid properties and therefore helps to control the property- and position-dependent function of macromolecules, e.g., in biomedical applications.

Overlapping consensus in pluralist societies: simulating Rawlsian full reflective equilibrium

The fact of reasonable pluralism in liberal democracies threatens the stability of such societies. John Rawls proposed a solution to this problem: The different comprehensive moral doctrines endorsed by the citizens overlap on a shared political conception of justice, e.g. his justice as fairness. Optimally, accepting the political conception is for each citizen individually justified by the method of wide reflective equilibrium. If this holds, society is in full reflective equilibrium. Rawls does not in detail investigate the conditions under which a full reflective equilibrium is possible or likely. This paper outlines a new strategy for addressing this open question by using the formal model of reflective equilibrium recently developed by Beisbart et al. First, it is argued that a bounded rationality perspective is appropriate which requires certain changes in the model. Second, the paper rephrases the open question about Rawlsian full reflective equilibrium in terms of the model. The question is narrowed down by focusing on the inferential connections between comprehensive doctrines and political conception. Rawls himself makes a demanding assumption about which connections are necessary for a full reflective equilibrium. Third, the paper presents a simulation study design that is focused on simplicity. The results are discussed, they fit with Rawls’s assumption. However, because of the strong idealisations, they provide a useful benchmark rather than a final answer. The paper presents suggestions for more elaborate study designs.

Wave solutions of the time-space fractional complex Ginzburg-Landau equation with Kerr law nonlinearity

In this paper, the bifurcation theory of dynamical system is applied to investigate the time-space fractional complex Ginzburg-Landau equation with Kerr law nonlinearity. We mainly consider the case of $\alpha\neq 2\beta$ which is not discussed in previous work. By overcoming some difficulties aroused by the singular traveling wave system, such as bifurcation analysis of nonanalytic vector field, tracking orbits near the full degenerate equilibrium and calculation of complicated elliptic integrals, we give a total of 20 explicit exact traveling wave solutions of the time-space fractional complex Ginzburg-Landau equation and classify them into 11 categories. Some new traveling wave solutions of this equation are obtained including the compactons and the bounded solutions corresponding to some bounded manifolds.

Electrically-driven ultrafast out-of-equilibrium light emission from hot electrons in suspended graphene/hBN heterostructures

Nanoscale light sources with high speed of electrical modulation and low energy consumption are key components for nanophotonics and optoelectronics. The record-high carrier mobility and ultrafast carrier dynamics of graphene make it promising as an atomically thin light emitter, which can be further integrated into arbitrary platforms by van der Waals forces. However, due to the zero bandgap, graphene is difficult to emit light through the interband recombination of carriers like conventional semiconductors. Here, we demonstrate ultrafast thermal light emitters based on suspended graphene/hexagonal boron nitride (Gr/hBN) heterostructures. Electrons in biased graphene are significantly heated up to 2800 K at modest electric fields, emitting bright photons from the near-infrared to the visible spectral range. By eliminating the heat dissipation channel of the substrate, the radiation efficiency of the suspended Gr/hBN device is about two orders of magnitude greater than that of graphene devices supported on SiO2 or hBN. We further demonstrate that hot electrons and low-energy acoustic phonons in graphene are weakly coupled to each other and are not in full thermal equilibrium. Direct cooling of high-temperature hot electrons to low-temperature acoustic phonons is enabled by the significant near-field heat transfer at the highly localized Gr/hBN interface, resulting in ultrafast thermal emission with up to 1 GHz bandwidth under electrical excitation. It is found that suspending the Gr/hBN heterostructures on the SiO2 trenches significantly modifies the light emission due to the formation of the optical cavity and showed a ∼440% enhancement in intensity at the peak wavelength of 940 nm compared to the black-body thermal radiation. The demonstration of electrically driven ultrafast light emission from suspended Gr/hBN heterostructures sheds the light on applications of graphene heterostructures in photonic integrated circuits, such as broadband light sources and ultrafast thermo-optic phase modulators.

Helium as a signature of the double detonation in Type Ia supernovae

ABSTRACT The double detonation is a widely discussed mechanism to explain Type Ia supernovae from explosions of sub-Chandrasekhar mass white dwarfs. In this scenario, a helium detonation is ignited in a surface helium shell on a carbon/oxygen white dwarf, which leads to a secondary carbon detonation. Explosion simulations predict high abundances of unburnt helium in the ejecta, however, radiative transfer simulations have not been able to fully address whether helium spectral features would form. This is because helium can not be sufficiently excited to form spectral features by thermal processes, but can be excited by collisions with non-thermal electrons, which most studies have neglected. We carry out a full non-local thermodynamic equilibrium radiative transfer simulation for an instance of a double detonation explosion model, and include a non-thermal treatment of fast electrons. We find a clear He i λ10830 feature which is strongest in the first few days after explosion and becomes weaker with time. Initially this feature is blended with the Mg ii λ10927 feature but over time separates to form a secondary feature to the blue wing of the Mg ii λ10927 feature. We compare our simulation to observations of iPTF13ebh, which showed a similar feature to the blue wing of the Mg ii λ10927 feature, previously identified as C i. Our simulation shows a good match to the evolution of this feature and we identify it as high velocity He i λ10830. This suggests that He i λ10830 could be a signature of the double detonation scenario.

The deposition kinetics of barium sulphate scale: model development

The deposition kinetics of barium sulphate scale: model development

Discovery of an extended G giant chromosphere in the 2019 eclipse of γ Per

The November 2019 eclipse of γ Per was a rare opportunity to seek evidence for a chromosphere of the G8 giant, hitherto suspected but not detected. Twenty-nine years after the only other observed eclipse, we aim to find chromospheric absorption in the strong Ca II H&K lines, and to determine its column densities and scale height. Using the Telescopio Internacional de Guanajuato Robótico-Espectroscópico (TIGRE) in Guanajuato (central Mexico) before, during and after the 8 days of total eclipse, we obtained good S/N spectra of the G8 giant alone and composite spectra of the partial phases, near eclipse and far from eclipse. In the near UV of the Ca II H&K and Hϵ lines, the G giant spectrum that was adequately scaled was subtracted from the composite spectra in partial phases, near and far from eclipse, to obtain the A3 companion spectra with and without traces of chromospheric absorption. In addition, we used PHOENIX full non-local thermodynamic equilibrium model atmospheres on the blue A star spectrum, iSpec spectral analysis of the red G giant spectrum, and evolution tracks to study both components of γ Per. For the first time, we present evidence for this rare type of a not very extended G giant chromosphere, reaching out about half of an A-star radius (~1.5 Gm) with a scale height of only 0.17 Gm. By its location in the Hertzsprung-Russell diagram, the γ Per G8 giant is very close to the onset of more extended chromospheres. Furthermore, we show that this giant has a rather inactive chromosphere, and a recent 5 ksec XMM pointing reveals only a very faint, low-energy corona. While the γ Per primary has a mass of ~3.6 M⊙, and its A3 companion has one of ~2.4 M⊙, the latter is too cool (8400 ± 300 K), which is too evolved on the main sequence to be the same age as the primary. The high eccentricity of the 5329.08 days long-period orbit may therefore be reminiscent of a rare capture event. Using the eclipse method, we resolve a pivotal case of a G giant chromosphere, which seems to represent a low-gravity analogue of the inactive Sun. A systematic change of giant chromospheric extent by Hertzsprung-Russell diagram position is confirmed. Compared to the solar chromosphere, the density scale height increases with gravity by ∝ ɡ−1.5.

The mechanisms and stable isotope effects of transforming hydrated carbonate into calcite pseudomorphs

Ikaite (CaCO3·6H2O) and monohydrocalcite (CaCO3·H2O; MHC) are hydrated carbonates that form at frigid (<9 °C) temperatures. During gradual heating and dehydration, the more thermodynamically stable anhydrous calcite replaces and pseudomorphs ikaite and MHC. Previously, ikaite pseudomorphs have been identified in the sedimentary record by characteristic replacive macro- and microtextures and interpreted as evidence for near-freezing marine paleotemperatures. Prior to this study, we lacked an understanding of isotopic exchange during mineral dehydration necessary to interpret isotopic compositions of such fabrics. Specifically, do the stable isotopic compositions of ikaite pseudomorphs preserve the primary environmental signal, or are they altered during mineral transformation? Through heating experiments of MHC from Ikka Fjord, we find that δ18OCARB and Δ47 decreased, while δ13CCARB remained nearly unchanged during progressive dehydration. An oxygen isotopic exchange model fitted to experimental data suggests that the isotopic changes reflected partial re-equilibration of δ18OCARB and Δ47 towards the new diagenetic conditions due to oxygen equilibrium exchange between CO32− and H2O within the MHC lattice. However, this process never reaches full equilibrium, an effect we argue reflects the fact that structural H2O escapes the solid carbonate structure faster than isotopic exchange can reach equilibrium. In addition, labelled water experiments demonstrated that oxygen isotopic exchange also occurs with secondary external waters during dehydration.We apply this new framework to interpret the isotopic compositions of Pleistocene ikaite pseudomorphs from Mono Lake (CA, USA) high-stand deposits, which have undergone subaerial dehydration. Specifically, dehydration diagenetic overprinting of Δ47 similar to the results of our controlled heating experiments can explain the warm temperatures, 6–26 °C, recorded by ikaite pseudomorphs and the higher δ18OCARB recorded by ikaite pseudomorph compared to other Pleistocene Mono Lake calcite tufas. We show that Mono Lake ikaite pseudomorph tufa isotopic data can be explained in a model scenario where approximately coeval precursor ikaite and other calcite tufas in Pleistocene Mono Lake formed from similar fluid compositions but at different water temperatures, likely related to changing seasons. In summary, we show that the isotopic composition of ikaite and MHC pseudomorphs can be used for paleoclimate reconstruction of water temperature, δ18OCARB, δ18Ofluid, and δ13CCARB when considering dehydration diagenetic effects.

Selective Uptake of Ethane/Ethylene Mixtures by UTSA-280 is Driven by Reversibly Coordinated Water Defects

The metal–organic framework (MOF) UTSA-280 has been shown previously to separate ethane/ethylene mixtures. We show that this separation is kinetic; if full equilibrium is reached, the MOF is not selective. The time scales associated with this kinetic separation are sufficient to make the material potentially interesting for practical separations. The observation of kinetic separation is surprising because the MOF’s one-dimensional (1D) channels are small enough that molecular motion along the channels would be expected to take place by single-file diffusion, which is not observed. We show using a combination of experimental and modeling techniques that diffusion of molecules between adjacent 1D channels through local defects associated with coordinated water molecules allows net mixing of molecules and, moreover, that this process is potentially responsible for the selective nature of the observed kinetic separation. We show how activation and regeneration conditions play an essential role in controlling the density of these local defects.

Full non-LTE spectral line formation

In this article we discuss a method for obtaining a numerical solution to the so-called full nonlocal thermodynamic equilibrium (non-LTE) radiation transfer problem. More specifically, the usual numerical iterative methods for non-LTE radiation transfer are coupled with that formalism and new numerical additions are explained in detail. We benchmarked the whole process with the standard non-LTE transfer problem for a two-level atom with Hummer’s RI − A partial frequency redistribution function. Finally, we present new quantities, such as the spatial distribution of the velocity distribution function of excited atoms, which can only be accessed by adopting a more general frame for non-LTE radiation transfer, such as the one we propose here.

On detailed balance in nonadiabatic dynamics: From spin spheres to equilibrium ellipsoids.

Trajectory-based methods that propagate classical nuclei on multiple quantum electronic states are often used to simulate nonadiabatic processes in the condensed phase. A long-standing problem of these methods is their lack of detailed balance, meaning that they do not conserve the equilibrium distribution. In this article, we investigate ideas for restoring detailed balance in mixed quantum-classical systems by tailoring the previously proposed spin-mapping approach to thermal equilibrium. We find that adapting the spin magnitude can recover the correct long-time populations but is insufficient to conserve the full equilibrium distribution. The latter can however be achieved by a more flexible mapping of the spin onto an ellipsoid, which is constructed to fulfill detailed balance for arbitrary potentials. This ellipsoid approach solves the problem of negative populations that has plagued previous mapping approaches and can therefore be applied also to strongly asymmetric and anharmonic systems. Because it conserves the thermal distribution, the method can also exploit efficient sampling schemes used in standard molecular dynamics, which drastically reduces the number of trajectories needed for convergence. The dynamics does however still have mean-field character, as is observed most clearly by evaluating reaction rates in the golden-rule limit. This implies that although the ellipsoid mapping provides a rigorous framework, further work is required to find an accurate classical-trajectory approximation that captures more properties of the true quantum dynamics.

Diffusion of surfactant from a micellar solution to a bare interface. 1. Absorbing boundary

We analyze dynamic adsorption of surfactant from a micellar solution to a rapidly created surface that acts as an absorbing boundary for surfactant monomers (single molecules), along which the monomer concentration vanishes, with no direct micelle adsorption. This somewhat idealized situation is analyzed as a prototype for situations in which strong suppression of monomer concentration accelerates micelle dissociation, and will be used as a starting point for analysis of more realistic boundary conditions in subsequent work. We present scaling arguments and approximate models for particular time and parameter regimes and compare the resulting predictions to numerical simulations of the reaction–diffusion equations for a polydisperse system containing surfactant monomers and clusters of arbitrary aggregation number. The model considered here exhibits an initial period of rapid shrinkage and ultimate dissociation of micelles within a narrow region near the interface. This opens a micelle-free region near the interface after some time τe, the width of which increases as t1/2 at times t≫τe. In systems that exhibit disparate fast and slow bulk relaxation times τ1 and τ2 in response to small perturbations, τe is usually comparable to or greater than τ1 but much less than τ2. Such systems exhibit a wide intermediate time regime τe<t<τ2 in which the remaining micellar region reaches a state of partial local equilibrium, followed by a final stage t≫τ2 in which full local equilibrium is established.

Sea surface temperature evolution of the North Atlantic Ocean across the Eocene–Oligocene transition

Abstract. A major step in the long-term Cenozoic evolution toward a glacially driven climate occurred at the Eocene–Oligocene transition (EOT), ∼34.44 to 33.65 million years ago (Ma). Evidence for high-latitude cooling and increased latitudinal temperature gradients across the EOT has been found in a range of marine and terrestrial environments. However, the timing and magnitude of temperature change in the North Atlantic remains highly unconstrained. Here, we use two independent organic geochemical palaeothermometers to reconstruct sea surface temperatures (SSTs) from the southern Labrador Sea (Ocean Drilling Program – ODP Site 647) across the EOT. The new SST records, now the most detailed for the North Atlantic through the 1 Myr leading up to the EOT onset, reveal a distinctive cooling step of ∼3 ∘C (from 27 to 24 ∘C), between 34.9 and 34.3 Ma, which is ∼500 kyr prior to Antarctic glaciation. This cooling step, when compared visually to other SST records, is asynchronous across Atlantic sites, signifying considerable spatiotemporal variability in regional SST evolution. However, overall, it fits within a phase of general SST cooling recorded across sites in the North Atlantic in the 5 Myr bracketing the EOT. Such cooling might be unexpected in light of proxy and modelling studies suggesting the start-up of the Atlantic Meridional Overturning Circulation (AMOC) before the EOT, which should warm the North Atlantic. Results of an EOT modelling study (GFDL CM2.1) help reconcile this, finding that a reduction in atmospheric CO2 from 800 to 400 ppm may be enough to counter the warming from an AMOC start-up, here simulated through Arctic–Atlantic gateway closure. While the model simulations applied here are not yet in full equilibrium, and the experiments are idealised, the results, together with the proxy data, highlight the heterogeneity of basin-scale surface ocean responses to the EOT thermohaline changes, with sharp temperature contrasts expected across the northern North Atlantic as positions of the subtropical and subpolar gyre systems shift. Suggested future work includes increasing spatial coverage and resolution of regional SST proxy records across the North Atlantic to identify likely thermohaline fingerprints of the EOT AMOC start-up, as well as critical analysis of the causes of inter-model responses to help better understand the driving mechanisms.

The Problem of Stability of Gas-Condensate Mixture at Pore-Scale: The Study by Density Functional Hydrodynamics

The method of the density functional hydrodynamics (DFH) is used to model compositional gas-condensate systems in natural cores at pore-scale. In previous publications, it has been demonstrated by the authors that DFH covers many diverse multiphase pore-scale phenomena, including fluid transport in RCA and SCAL measurements and complex EOR processes. The pore-scale modeling of multiphase flow scenarios is performed by means of the direct hydrodynamic (DHD) simulator, which is a numerical implementation of the DFH. In the present work, we consider the problem of pore-scale numerical modeling of three-phase system: residual water, hydrocarbon gas and hydrocarbon liquid with phase transitions between the two latter phases. Such situations happen in case of gas-condensate or volatile oil deposits, in oil deposits with gas caps or in EOR methods with gas injection. The corresponding field development modeling by the conventional reservoir simulators rely on phase permeabilities and capillary pressures, which are provided by laboratory core analysis experiments. But the problem with gas-liquid hydrocarbon mixtures is that in laboratory procedures it may be difficult or even impossible to achieve full thermodynamic equilibrium between phases as it must be under the reservoir conditions of the initial reservoir state. However, reaching the said equilibrium is quite possible in numerical simulation. In this work, the gas-liquid mixture, after being injected into core sample, would slowly undergo the rearrangement of the phases and chemical components in pores converging to the minimum of the Helmholtz energy functional. This process is adequately described by DFH with consequent impact on phase permeabilities and capillary pressure. We give pore-scale numerical examples of the described phenomena in a micro-CT porous rock model for a realistic gas-condensate mixture with quantitative characterization of phase transition kinetic effects.