Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “viscous effects”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Coupled Boltzmann transport equations of heavy quarks and quarkonia in quark-gluon plasma

We develop a framework of coupled transport equations for open heavy flavor and quarkonium states, in order to describe their transport inside the quark-gluon plasma. Our framework is capable of studying simultaneously both open and hidden heavy flavor observables in heavy-ion collision experiments and can account for both, uncorrelated and correlated recombination. Our recombination implementation depends on real-time open heavy quark and antiquark distributions. We carry out consistency tests to show how the interplay among open heavy flavor transport, quarkonium dissociation and recombination drives the system to equilibrium. We then apply our framework to study bottomonium production in heavy-ion collisions. We include Υ(1S), Υ(2S), Υ(3S), χb (1P) and χb (2P) in the framework and take feed-down contributions during the hadronic gas stage into account. Cold nuclear matter effects are included by using nuclear parton distribution functions for the initial primordial heavy flavor production. A calibrated 2 + 1 dimensional viscous hydrodynamics is used to describe the bulk QCD medium. We calculate both the nuclear modification factor R AA of all bottomonia states and the azimuthal angular anisotropy coefficient v 2 of the Υ(1S) state and find that our results agree reasonably with experimental measurements. Our calculations indicate that correlated cross-talk recombination is an important production mechanism of bottomonium in current heavy-ion experiments. The importance of correlated recombination can be tested experimentally by measuring the ratio of R AA ( χb (1P)) and R AA (Υ(2S)).

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Activity-induced migration of viscous droplets on a solid substrate

Active matter exploits motion to induce changes in shape and conformation via external input. Here, in this paper, we establish theoretically that viscous liquid droplets containing magnetic nanoparticles with frozen-in magnetic moments, sitting on a solid substrate and surrounded by an ambient gas phase, can deform and migrate under the influence of a magnetic torque. The effect arises because the collective rotation of the magnetic nanoparticles at the liquid–gas interface tilts the droplet away from a symmetric configuration, breaks the reflection symmetry with respect to the centre axis, and leads to a left–right asymmetry of the contact angles. A sufficiently strong magnetic torque leads the contact angles to overcome hysteresis effects leading the droplet to migrate. We develop a general framework to explain how symmetry-breaking affects droplet migration. Thus previous results of droplet spreading and migration can be recovered as special cases. Such droplets can be employed as agents in active surfaces and can move against gravity, chemical and thermal gradients, providing a mechanism that could be utilized by both industry and medicine.

Aggarwal, A.↗
DOE OSTI2025

Crystalline Organic Compounds as Effective Nuclei in Contact Efflorescence of Ammonium Sulfate

Contact nucleation is believed to play a role in liquid-to-solid phase transitions in the atmosphere including ice nucleation and salt efflorescence. Here, for this work, contact efflorescence of optically levitated ammonium sulfate droplets by collisions with organic particles is probed using a long working-distance optical trap. Two highly viscous water-soluble organic compounds (d-(+)-raffinose and citric acid), and two insoluble highly surface-active organic compounds (stearic acid and cis-pinonic acid) were probed for their ability to induce efflorescence upon contact. While three of the organics showed minimal effectiveness as contact nuclei, cis-pinonic acid showed a remarkable ability to initiate contact efflorescence of ammonium sulfate, occurring near ammonium sulfate’s deliquescence relative humidity. Further analysis of cis-pinonic acid using bright-field microscopy in an electrodynamic balance provided evidence that the cis-pinonic acid particles are crystalline under the laboratory conditions. We suggest that the close lattice match between crystalline ammonium sulfate and crystalline cis-pinonic acid may account for the observed effectiveness in initiating contact efflorescence of ammonium sulfate. In contrast, tests of contact nucleation between cis-pinonic acid and sodium chloride, a pair with a poor lattice match, did not result in efflorescence. These findings suggest that crystalline organic compounds in the atmosphere could act as effective nuclei for contact efflorescence of atmospherically relevant salts, provided they share a compatible lattice structure.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Rapid Viscoelastic Deformation Slows Marine Ice Sheet Instability at Pine Island Glacier

The ice sheets of the Amundsen Sea Embayment (ASE) are vulnerable to the marine ice sheet instability (MISI), which could cause irreversible collapse and raise sea levels by over a meter. The uncertain timing and scale of this collapse depend on the complex interaction between ice, ocean, and bedrock dynamics. The mantle beneath the ASE is likely less viscous (~10 18 Pa s) than the Earth's average mantle (~10 21 Pa s). In this paper we show that an effective equilibrium between Pine Island Glacier's retreat and the response of a weak viscoelastic mantle can reduce ice mass lost by almost 30% over 150 years. Other components of solid Earth response—purely elastic deformations and geoid perturbations—provide less stability than the viscoelastic response alone. Uncertainties in mantle rheology, topography, and basal melt affect how much stability we expect, if any. Our study indicates the importance of considering viscoelastic uplift during the rapid retreat associated with MISI.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Reduced-order modeling of advection-dominated systems with recurrent neural networks and convolutional autoencoders

A common strategy for the dimensionality reduction of nonlinear partial differential equations (PDEs) relies on the use of the proper orthogonal decomposition (POD) to identify a reduced subspace and the Galerkin projection for evolving dynamics in this reduced space. However, advection-dominated PDEs are represented poorly by this methodology since the process of truncation discards important interactions between higher-order modes during time evolution. In this study, we demonstrate that encoding using convolutional autoencoders (CAEs) followed by a reduced-space time evolution by recurrent neural networks overcomes this limitation effectively. We demonstrate that a truncated system of only two latent space dimensions can reproduce a sharp advecting shock profile for the viscous Burgers equation with very low viscosities, and a six-dimensional latent space can recreate the evolution of the inviscid shallow water equations. Additionally, the proposed framework is extended to a parametric reduced-order model by directly embedding parametric information into the latent space to detect trends in system evolution. Furthermore, our results show that these advection-dominated systems are more amenable to low-dimensional encoding and time evolution by a CAE and recurrent neural network combination than the POD-Galerkin technique.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Experimental Investigation of Polymer Induced Fouling of Heater Tubes in the First-ever Polymer Flood Pilot on Alaska North Slope

Polymer flooding has been validated in the lab and by successful applications in other countries, such as Canada and China, to be an effective EOR technique for heavy oil reservoirs. Currently, polymer flooding is being pilot tested for the first time in the Schrader Bluff viscous oil reservoir at Milne Point field on Alaska North Slope (ANS). One of the major concerns of the operator is the impact of polymer on the oil production system after polymer breakthrough, especially the polymer induced fouling issues in the heat exchanger. This study investigates the propensity of polymer fouling on the heater tubes as a function of different variables, with the ultimate goal of determining safe and efficient operating conditions. A unique experimental set-up was indigenously designed and developed to simulate the fouling process on the heating tube. The influence of heating tube skin temperature, tube material, and polymer concentration on fouling tendency was investigated. Under each test condition, the test was run five times with the same tube, and in each run, the freshly prepared synthetic brine and polymer solution were heated from 77°F to 122°F to mimic field operating conditions. The heating time and fouling amount were recorded for each run. The morphology and composition of the deposit samples were analyzed by environmental scanning electron microscopy (ESEM) and X-ray diffraction (XRD), respectively. It has been found that, in general, the presence of polymer in produced fluids would aggravate the fouling issues on both carbon steel and stainless steel surfaces at all tested skin temperatures (165°F, 250 °F and 350°F), but only higher skin temperatures of 250°F and 350°F could cause polymer induced fouling issues on the copper tube surface and the fouling tendency increased with polymer concentration. At the lower skin temperatures of 165°F, no polymer-induced fouling was identified on the copper tube. A critical temperature that is related to the cloud point of the polymer solution was believed to exist, below which polymer induced fouling would not occur and only mineral scale deposited, but above which the polymer would obviously aggravate the fouling issue. The heating efficiency of the tube would be reduced gradually as more fouling material accumulates on its surface. The ESEM results indicate that if polymer precipitated and deposited on the surface, it would bond to the mineral crystals to form a stronger three- dimensional network structure, and that is why the polymer induced fouling was tougher and more difficult to be removed from the tube surface. The XRD analysis results confirm that the presence of polymer in the fluids can enhance the mineral scale propensity. Overall, the study results have provided practical guidance to the field operator for the ongoing polymer flooding pilot test on ANS. This study may also prove to be valuable for other chemical EOR projects around the world.

Alaska North Slope↗
DOE OSTI2024

A mineral precipitation model based on the volume of fluid method

A novel volume of fluid method is presented for mineral precipitation coupled with fluid flow and reactive transport. The approach describes the fluid-solid interface as a smooth transitional region, which is designed to provide the same precipitation rate and viscous drag force as a sharp interface. Specifically, the governing equation of mineral precipitation is discretized by an upwind scheme, and a rigorous effective viscosity model is derived around the interface. The model is validated against analytical solutions for mineral precipitation in channel and ring-shaped structures. It also compares well with interface tracking simulations of advection-diffusion-reaction problems. Here, the methodology is finally employed to model mineral precipitation in fracture networks, which is challenging due to the low porosity and complex geometry. Compared to other approaches, the proposed model has a concise algorithm and contains no free parameters. In the modeling, only the pore space requires meshing, which improves the computational effciency especially for low-porosity media.

58 GEOSCIENCES↗
DOE OSTI2024

Unraveling the Highly Plastic Behavior of ALD-Aluminum Oxide Encapsulations by Small-Scale Tensile Testing

We present a study directly measuring the electron-beam-induced plasticity of amorphous Al 2 O 3 coatings. Core–shell nanostructures are employed as small-scale model systems for two-dimensional coatings made by atomic layer deposition (ALD). Copper nanowires (NWs) are used as substrates for ALD deposition, representing a model system for interconnects commonly found in integrated circuits. Experiments are performed in situ in a transmission electron microscope (TEM) and further analyzed with electron energy loss spectroscopy (EELS). Our in situ TEM tensile experiments reveal the highly plastic behavior of the ALD shell, which withstands a maximum strain of 188%. Comparable samples under beam-off conditions show a brittle fracture, which underlines the effect of electron irradiation. The electron-beam-activated bond switching within the amorphous network enables compensation of the applied tensile strain, leading to viscous flow. By incorporating an intermediate nanocrystalline layer within the Al 2 O 3 shell, the plasticity is suppressed and brittle fracture occurs. This work directly demonstrates the tuning of mechanical properties in amorphous ALD structures through electron irradiation.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Angular-momentum Transport in Proto-neutron Stars and the Fate of Neutron Star Merger Remnants

Both the core collapse of rotating massive stars, and the coalescence of neutron star (NS) binaries result in the formation of a hot, differentially rotating NS remnant. The timescales over which differential rotation is removed by internal angular-momentum transport processes (viscosity) have key implications for the remnant’s long-term stability and the NS equation of state (EOS). Guided by a nonrotating model of a cooling proto-NS, we estimate the dominant sources of viscosity using an externally imposed angular-velocity profile Ω(r). Although the magneto-rotational instability provides the dominant source of effective viscosity at large radii, convection and/or the Tayler–Spruit dynamo dominate in the core of merger remnants where dΩ/dr ≥ 0. Furthermore, the viscous timescale in the remnant core is sufficiently short that solid-body rotation will be enforced faster than matter is accreted from rotationally supported outer layers. Guided by these results, we develop a toy model for how the merger remnant core grows in mass and angular momentum due to accretion. We find that merger remnants with sufficiently massive and slowly rotating initial cores may collapse to black holes via envelope accretion, even when the total remnant mass is less than the usually considered threshold ≈1.2 M TOV for forming a stable solid-body rotating NS remnant (where M TOV is the maximum nonrotating NS mass supported by the EOS). This qualitatively new picture of the post-merger remnant evolution and stability criterion has important implications for the expected electromagnetic counterparts from binary NS mergers and for multimessenger constraints on the NS EOS

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Collision-Energy Dependence in Heavy-Ion Collisions from Nonlinear QCD Evolution

We explore the effects of including the energy dependence determined from evolution equations within the color glass condensate framework on observables in ultrarelativistic heavy-ion collisions. This amounts to integrating the JIMWLK evolution equations into the impact parameter-dependent glasma model, which is then coupled to viscous relativistic hydrodynamics. This methodology allows for a systematic representation of nuclei at specific Bjorken-x values, which are probed at different center-of-mass energies of the collision and rapidities of final state particles. Comparing the methodology to the conventional impact parameter-dependent glasma model, we find significant effects on multiplicity distributions and particle spectra, especially in smaller collision systems at the highest center-of-mass energies. Our results highlight the importance of incorporating nonlinear QCD evolution in the description of heavy-ion collisions at varying center-of-mass energies, as the precise extraction of transport coefficients will be affected. This Letter establishes a robust framework for understanding the quark gluon plasma and nuclear structure at high energy, integrating small-x physics into the initial conditions of heavy-ion collisions.

Mäntysaari, Heikki↗
DOE OSTI2024

Parasitic Modulation of Microwave Signals by a Hypersonic Plasma Layer

During hypersonic flight, compressional and viscous heating of the air can form a plasma layer which encases the aircraft. If the boundary layer becomes turbulent, then the electron density fluctuations can effect a parasitic modulation in microwave signals transmitted through the plasma. We developed an approach for studying the interaction of microwave signals with a turbulent, hypersonic plasma layer. The approach affords a great deal of flexibility in both the plasma layer model and the antenna configuration. We then analyzed a situation in which microwaves, transmitted from a rectangular aperture antenna, propagate through a turbulent plasma layer to a distant receiver. We characterized the first-and second-order statistics of the computed parasitic modulation and quantified the depolarization of the signal. The amplitude fluctuations are lognormally distributed at low frequencies and Rice-distributed at high frequencies. Fluctuations in the copolarized phase and amplitude of the far-field signal are strongly anticorrelated. Here, we used a multioutput Gaussian process (MOGP) to model these quantities. The efficacy of the MOGP model is demonstrated by recovering the time evolution of the copolarized phase given the copolarized amplitude and occasional measurements of the phase.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Sensitivity measurements for a 250 MHz quartz shear-horizontal surface acoustic wave biosensor under liquid viscous loading

Surface acoustic wave (SAW) devices have been used in biochemical assays due to their high sensitivity. The device sensitivity is a function of changes in the density and viscosity of the liquid. Here, we studied the effect of fluid viscosity using a 250 MHz quartz shear-horizontal (SH)-SAW biosensor by monitoring different concentrations of binary aqueous/glycerol solutions. In this study, the sensitivity of the biosensor was determined by fitting the data to models derived from perturbation theory. Measurements in water were used as the reference. For a 0% to 50% glycerol solution, an 87°–204° separation in the phase shift was observed. The slope of the plot of the phase shift vs (ηρ)0.5 was used to indicate the sensor’s sensitivity. The sensitivity for our 250 MHz quartz SH-SAW sensors was calculated to be 3.7×10−3m2sKg. The corresponding mass sensitivity was determined to be 9.25 × 105m2Kg. The limit of detection was calculated to be 36 picograms (pg), while the limit of quantification or LOQ was calculated to be 109 pg. Traditionally, liquid phase measurements have been challenging for SAW devices because liquids dampen the vibrating sensors severely. This problem has been largely solved using a transverse (shear) wave instead of the more popular longitudinal or Rayleigh waves. Liquid measurements are now possible using transverse waves, also known as shear waves, because transverse waves are only minimally attenuated by liquids. Shear-horizontal SAW sensors (SH-SAW) show great promise as label-free biosensors because of their ability to handle liquid samples. However, the viscosity of the liquid still induces loading effects and can be measured when the liquid is loaded onto the SH-SAW propagating surface (delay line). When the liquid above the delay line is perturbed by physical or chemical changes, such as binding to a receptor, it alters the propagating acoustic wave. The SH-SAW device can measure these changes in liquid properties as a change in the wave’s phase compared to the original wave. The device’s phase shift was recorded as a function of the changes in the density and viscosity of the binary glycerol solution and used to determine the sensitivity in the linear dynamic range of responses.

Materials Science↗
DOE OSTI2024

Applying a Phase-Separation Parameterization in Modeling Secondary Organic Aerosol Formation from Acid-Driven Reactive Uptake of Isoprene Epoxydiols under Humid Conditions

Secondary organic aerosol (SOA) from acid-driven reactive uptake of isoprene epoxydiols (IEPOX) contributes up to 40% of organic aerosol (OA) mass in fine particulate matter. Our previous work showed substantial conversions of particulate inorganic sulfates to surface-active organosulfates (OSs) by IEPOX decreases aerosol acidity and creates a viscous organic-rich shell that poses as a diffusion barrier, inhibiting additional reactive uptake of IEPOX. In this study, to account for this “self-limiting” effect, a phase-separation box model was developed to evaluate parameterizations of IEPOX reactive uptake against time-resolved chamber measurements of IEPOX-SOA tracers, including 2-methyltetrols (2-MT) and methyltetrol sulfates (MTS), at ~ 50% relative humidity. The phase-separation model was most sensitive to mass accommodation coefficient, IEPOX diffusivity in the organic shell, and ratio of the third-order reaction rate constants forming 2-MT and MTS (k MT /k MTS ). In particular, k MT /k MTS had to be lower than 0.1 to bring model predictions of 2-MT and MTS in closer agreement with chamber measurements, while prior studies reported values larger than 0.71. The model-derived rate constants favor more particulate MTS formation due to 2-MT likely off-gassing at ambient-relevant OA loadings. Incorporating this parametrization into chemical transport models is expected to predict lower IEPOX-SOA mass and volatility due to the predominance of OSs.

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

Weak collisionless shocks mediated by ion gyroviscosity

Collisionless shocks are ubiquitous in space and astrophysical plasmas, and they are essential dynamical features of these systems. Lacking Coulomb collisions, these shocks are mediated by the anomalous dissipation provided by nonlinear plasma instabilities. By numerically resolving the structure of a steady-state, ion gyroviscous shock, we show that ion gyroviscosity, alone, can produce weak (M≲1.1, where M is the sonic Mach number) shocks in a collisionless, magnetized plasma. We emphasize that this effect does not require an appeal to plasma microturbulence. Moreover, while most collisionless systems may be unsuitable to support purely gyroviscous shocks, we argue that gyro-viscous heating may be an overlooked mechanism, generally; and it may be a key driver within magnetohydrodynamic shocks at large. In conclusion, representative examples include the plasma environments produced on the plasma liner experiment and the magnetized liner inertial fusion platforms.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Bottomonium suppression in 5.02 and 8.16 TeV 𝑝-Pb collisions

Here, we compute the suppression of ϒ⁡(1⁢𝑆), ϒ⁡(2⁢𝑆), and ϒ⁡(3⁢𝑆) states in 𝑝-Pb collisions relative to 𝑝⁢𝑝 collisions, including nuclear parton distribution function (nPDF) effects, coherent energy loss, momentum broadening, and final-state interactions in the quark-gluon plasma. We employ the EPPS21 nPDFs and calculate the uncertainty resulting from variation over the associated error sets. To compute coherent energy loss and momentum broadening, we follow the approach of Arleo, Peigne, and collaborators. The 3+1⁢D viscous hydrodynamical background evolution of the quark-gluon plasma is generated by anisotropic hydrodynamics. The in-medium suppression of bottomonium in the quark-gluon plasma is computed using a next-to-leading-order open quantum system framework formulated within potential nonrelativistic quantum chromodynamics. We find that inclusion of all these effects provides a reasonable description of experimental data from the ALICE, ATLAS, CMS, and LHCb Collaborations for the suppression of ϒ⁡(1⁢𝑆), ϒ⁡(2⁢𝑆), and ϒ⁡(3⁢𝑆) as a function of both transverse momentum and rapidity.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Pressure Modification or Barrier Issues during Polymer Flooding Enhanced Oil Recovery

Effective oil displacement from a reservoir requires adequate and properly directed pressure gradients in areas of high oil saturation. If the polymer bank is too large or too viscous during a polymer flood, the pressure drops from the injection well to the polymer front may act as a pressure modification or barrier by usurping most of the downstream driving force for oil displacement. Polymer injection pressures must be limited. The maximum allowable injection pressure is commonly constrained by caprock integrity, injection equipment, and/or regulations, even though fractures can be beneficial to polymer injectivity. This paper examines when the pressure-barrier concept limits the size and viscosity of the polymer bank during a polymer flood. Analytical and numerical methods are used to address this issue. We examine the relevance of the pressure modification concept for a wide variety of circumstances, including oil viscosities ranging from 10 cp to 1650 cp, vertical wells versus horizontal wells, single versus multiple layered reservoirs, permeability contrast, and crossflow between layers. We also examine the relation between the pressure-barrier concept and fractures and fracture extension during polymer injection. We demonstrate that in reservoirs with single layers, the pressure-barrier concept only limits the optimum viscosity of the injected polymer if the mobility of the polymer bank is less than the mobility of the displaced oil bank. The same is true for multizoned reservoirs with no crossflow between layers. Thus, for these cases, the optimum polymer viscosity is likely to be dictated by the mobility of the oil bank, unless other factors intervene. For multizoned reservoirs with free crossflow between layers, the situation is different. A compromise must be reached between injected polymer viscosity and the efficiency of oil recovery. This work is particularly relevant to viscous oil reservoirs where polymer viscosities are substantially lower than the oil viscosity.

58 GEOSCIENCES↗
DOE OSTI2022

Pressure Barrier Applicability to Polymer Flood Design

Effective oil displacement from a reservoir requires adequate and properly directed pressure gradients in areas of high oil saturation. If the polymer bank is too large or too viscous during a polymer flood, the pressure drop from the injection well to the polymer front may act as a pressure barrier by usurping most of the downstream driving force for oil displacement. Polymer injection pressures must be limited. The maximum allowable injection pressure is commonly constrained by caprock integrity, injection equipment, and/or regulations, even though fractures can be beneficial to polymer injectivity (and even sweep efficiency in some cases). This paper examines when the pressure-barrier concept limits the size and viscosity of the polymer bank during a polymer flood. Both analytical and numerical methods are used to address this issue. We examine the relevance of the pressure barrier concept for a wide variety of circumstances, including oil viscosities ranging from 10-cp (like at Daqing, China) to 1650-cp (like at Pelican Lake, Alberta), vertical wells (like at Tambaredjo, Suriname) versus horizontal wells (like at Milne Point, Alaska), single versus multiple layered reservoirs, permeability contrast, and with versus with crossflow between layers. We also examine the relation between the pressure-barrier concept and fractures and fracture extension during polymer injection. We demonstrate that in reservoirs with single layers, the pressure-barrier concept only limits the optimum viscosity of the injected polymer if the mobility of the polymer bank is less than the mobility of the displaced oil bank. The same is true for multi-zoned reservoirs with no crossflow between layers. Thus, for these cases, the optimum polymer viscosity is likely to be dictated by the mobility of the oil bank, unless other factors (like fracture extension) intervene. For multi-zoned reservoirs with free crossflow between layers, the situation is different. A compromise must be reached between injected polymer viscosity and the efficiency of oil recovery. The relevance of our findings is applied to operations for several existing polymer floods. This work is particularly relevant to viscous-oil reservoirs (like Pelican Lake and others) where the injected polymer viscosities are substantially lower than the oil viscosity

Wang, Dongmei↗
DOE OSTI2020

Predicting secondary organic aerosol phase state and viscosity and its effect on multiphase chemistry in a regional-scale air quality model

Atmospheric aerosols are a significant public health hazard and have substantial impacts on the climate. Secondary organic aerosols (SOAs) have been shown to phase separate into a highly viscous organic outer layer surrounding an aqueous core. This phase separation can decrease the partitioning of semi-volatile and low-volatile species to the organic phase and alter the extent of acid-catalyzed reactions in the aqueous core. A new algorithm that can determine SOA phase separation based on their glass transition temperature (T g ), oxygen to carbon (O:C) ratio and organic mass to sulfate ratio, and meteorological conditions was implemented into the Community Multiscale Air Quality Modeling (CMAQ) system version 5.2.1 and was used to simulate the conditions in the continental United States for the summer of 2013. SOA formed at the ground/surface level was predicted to be phase separated with core–shell morphology, i.e., aqueous inorganic core surrounded by organic coating 65.4 % of the time during the 2013 Southern Oxidant and Aerosol Study (SOAS) on average in the isoprene-rich southeastern United States. Our estimate is in proximity to the previously reported ~70 % in literature. The phase states of organic coatings switched between semi-solid and liquid states, depending on the environmental conditions. The semi-solid shell occurring with lower aerosol liquid water content (western United States and at higher altitudes) has a viscosity that was predicted to be 10 2 –10 12 Pa s, which resulted in organic mass being decreased due to diffusion limitation. Organic aerosol was primarily liquid where aerosol liquid water was dominant (eastern United States and at the surface), with a viscosity <10 2 Pa s. Phase separation while in a liquid phase state, i.e., liquid–liquid phase separation (LLPS), also reduces reactive uptake rates relative to homogeneous internally mixed liquid morphology but was lower than aerosols with a thick viscous organic shell. The sensitivity cases performed with different phase-separation parameterization and dissolution rate of isoprene epoxydiol (IEPOX) into the particle phase in CMAQ can have varying impact on fine particulate matter (PM 2.5 ) organic mass, in terms of bias and error compared to field data collected during the 2013 SOAS. This highlights the need to better constrain the parameters that govern phase state and morphology of SOA, as well as expand mechanistic representation of multiphase chemistry for non-IEPOX SOA formation in models aided by novel experimental insights.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗