Search NASA⌕ Search

SEARCH · Search NASA

Results for “EVAPORATION MODEL”

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 1,657 records · Page 92
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Secondary organic aerosol formation in biomass-burning plumes: theoretical analysis of lab studies and ambient plumes

Abstract. Secondary organic aerosol (SOA) has been shown to form in biomass-burning emissions in laboratory and field studies. However, there is significant variability among studies in mass enhancement, which could be due to differences in fuels, fire conditions, dilution, and/or limitations of laboratory experiments and observations. This study focuses on understanding processes affecting biomass-burning SOA formation in laboratory smog-chamber experiments and in ambient plumes. Vapor wall losses have been demonstrated to be an important factor that can suppress SOA formation in laboratory studies of traditional SOA precursors; however, impacts of vapor wall losses on biomass-burning SOA have not yet been investigated. We use an aerosol-microphysical model that includes representations of volatility and oxidation chemistry to estimate the influence of vapor wall loss on SOA formation observed in the FLAME III smog-chamber studies. Our simulations with base-case assumptions for chemistry and wall loss predict a mean OA mass enhancement (the ratio of final to initial OA mass, corrected for particle-phase wall losses) of 1.8 across all experiments when vapor wall losses are modeled, roughly matching the mean observed enhancement during FLAME III. The mean OA enhancement increases to over 3 when vapor wall losses are turned off, implying that vapor wall losses reduce the apparent SOA formation. We find that this decrease in the apparent SOA formation due to vapor wall losses is robust across the ranges of uncertainties in the key model assumptions for wall-loss and mass-transfer coefficients and chemical mechanisms.We then apply similar assumptions regarding SOA formation chemistry and physics to smoke emitted into the atmosphere. In ambient plumes, the plume dilution rate impacts the organic partitioning between the gas and particle phases, which may impact the potential for SOA to form as well as the rate of SOA formation. We add Gaussian dispersion to our aerosol-microphysical model to estimate how SOA formation may vary under different ambient-plume conditions (e.g., fire size, emission mass flux, atmospheric stability). Smoke from small fires, such as typical prescribed burns, dilutes rapidly, which drives evaporation of organic vapor from the particle phase, leading to more effective SOA formation. Emissions from large fires, such as intense wildfires, dilute slowly, suppressing OA evaporation and subsequent SOA formation in the near field. We also demonstrate that different approaches to the calculation of OA enhancement in ambient plumes can lead to different conclusions regarding SOA formation. OA mass enhancement ratios of around 1 calculated using an inert tracer, such as black carbon or CO, have traditionally been interpreted as exhibiting little or no SOA formation; however, we show that SOA formation may have greatly contributed to the mass in these plumes.In comparison of laboratory and plume results, the possible inconsistency of OA enhancement between them could be in part attributed to the effect of chamber walls and plume dilution. Our results highlight that laboratory and field experiments that focus on the fuel and fire conditions also need to consider the effects of plume dilution or vapor losses to walls.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1984

Soil temperature extrema recovery rates after precipitation cooling

From a one dimensional view of temperature alone variations at the Earth's surface manifest themselves in two cyclic patterns of diurnal and annual periods, due principally to the effects of diurnal and seasonal changes in solar heating as well as gains and losses of available moisture. Beside these two well known cyclic patterns, a third cycle has been identified which occurs in values of diurnal maxima and minima soil temperature extrema at 10 cm depth usually over a mesoscale period of roughly 3 to 14 days. This mesoscale period cycle starts with precipitation cooling of soil and is followed by a power curve temperature recovery. The temperature recovery clearly depends on solar heating of the soil with an increased soil moisture content from precipitation combined with evaporation cooling at soil temperatures lowered by precipitation cooling, but is quite regular and universal for vastly different geographical locations, and soil types and structures. The regularity of the power curve recovery allows a predictive model approach over the recovery period. Multivariable linear regression models alloy predictions of both the power of the temperature recovery curve as well as the total temperature recovery amplitude of the mesoscale temperature recovery, from data available one day after the temperature recovery begins.

Welker, J. E.↗
NASA NTRS1996

Vapor Flow Patterns During a Start-Up Transient in Heat Pipes

The vapor flow patterns in heat pipes are examined during the start-up transient phase. The vapor core is modelled as a channel flow using a two dimensional compressible flow model. A nonlinear filtering technique is used as a post process to eliminate the non-physical oscillations of the flow variables. For high-input heat flux, multiple shock reflections are observed in the evaporation region. The reflections cause a reverse flow in the evaporation and circulations in the adiabatic region. Furthermore, each shock reflection causes a significant increase in the local pressure and a large pressure drop along the heat pipe.

Issacci, F.↗
NASA NTRS1999

High Temperature Superconductor/Semiconductor Hybrid Microwave Devices and Circuits

Contents include following: film deposition technique; laser ablation; magnetron sputtering; sequential evaporation; microwave substrates; film characterization at microwave frequencies; complex conductivity; magnetic penetration depth; surface impedance; planar single-mode filters; small antennas; antenna arrays phase noise; tunable oscillations; hybrid superconductor/semiconductor receiver front ends; and noise modeling.

Romanofsky, Robert R.↗
NASA NTRS2003

Model of hollow cathode operation and life limiting mechanisms

In this paper we apply results from the extensive traveling wave tube vacuum barium impregnated cathode literature to the hollow cathodes used in ion thrusters. We show that the observed space station cathode life is in general agreement with published barium evaporation rates.

hollow cathodes↗
DOE OSTI2014

Spectral characteristics of nanoamorphous phosphors obtained by evaporation of Sr{sub 2}Gd{sub 8}(SiO{sub 4}){sub 6}O{sub 2}: Eu polycrystals

Amorphous nanophosphors have been obtained for the first time by pulsed electron beam evaporation of targets from bulk polycrystalline phosphors of the composition Sr{sub 2}Gd{sub 8}(SiO{sub 4}){sub 6}O{sub 2}: Eu with oxyapatite structure. The processes of crystallization of amorphous nanopowder were studied using differential scanning calorimetry and termogravimetry (40−1400 °C). It was found that the Raman spectra of the samples are modified when the particles decrease from bulk to nanodimensional state. The spectral and luminescent characteristics of the phosphors in polycrystalline and nanoamorphous states have been examined. It was established that Eu{sup 3+} forms two types of optical centers. Unlike bulk phosphors, in the nanophosphors no Eu{sup 2+} ions are formed. The ratio of red to orange luminescence intensity for nanophosphors was found to increase as compared with bulk phosphors. This effect is due to disordering of nanoparticles. A resonant transfer of excitation energy from Gd{sup 3+} to Eu{sup 3+} ions was found in bulk and nanophosphors. Upon transition from polycrystalline to nanoamorphous state and laser excitation of phosphors, the luminescence intensity of Eu{sup 3+} ions increases approximately 10 times. This effect is explained in the framework of the configuration coordinates model. - Graphical abstract: Schematic configurational-coordinate diagram for Eu{sup 3+} ion in polycrystalline Sr{sub 2}Gd{sub 6.4}Eu{sub 1.6}Si{sub 6}O{sub 26−δ} and nanoamorphous phosphor. - Highlights: • Nanoamorphous phosphor is obtained by electron-beam evaporation of bulk silicate. • In nanoamorphous samples Raman spectra are modified intensity. • Nanofosfor luminescence by 10 times more intensively, than bulk phosphorus. • There is a transfer of energy of excitation from Gd{sup 3+} to Eu{sup 3+} in bulk- and nanophosphor.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2000

Numerical Simulations of TRMM LBA, TOGA, COARE, GATE, ARM and PRESTORM Convective Systems: Sensitivity tests on Microphysical Processes

The 3D Goddard Cumulus Ensemble (GCE) model was utilized to examine the behavior and response of simulated deep tropical cloud systems that occurred over the west Pacific warm pool region, the Atlantic ocean and the central United States. The periods chosen for simulation were convectively active periods during TOGA-COARE (February 22 1993, December 11-17, 1992; December 19-28, February 9-13, 1993), GATE (September 4, 1974), LBA (January 26 and February 23, 1998), ARM (1997 IOP) and PRESTORM (June 11, 1985). We will examine differences in the microphysics for both warm rain and ice processes (evaporation /sublimation and condensation/ deposition), Q1 (Temperature), Q2 (Water vapor) and Q3 (momentum both U and V) budgets for these three convective events from different large-scale environments. The contribution of stratiform precipitation and its relationship to the vertical shear of the large-scale horizontal wind will also be examined. New improvements to the GCE model (i.e., microphysics: 4ICE two moments and 3ICE one moment; advection schemes) as well as their sensitivity to the model results will be discussed. Preliminary results indicated that various microphysical schemes could have a major impact on stratiform formation as well as the size of convective systems. However, they do not change the major characteristics of the convective systems, such as: arc shape, strong rotational circulation on both ends of system, heavy precipitation along the leading edge of systems.

Tao, W.-K.↗
NASA NTRS1998

Improved Modeling of Finite-Rate Turbulent Combustion Processes in Research Combustors

The objective of this thesis is to further develop and test a stochastic model of turbulent combustion in recirculating flows. There is a requirement to increase the accuracy of multi-dimensional combustion predictions. As turbulence affects reaction rates, this interaction must be more accurately evaluated. In this work a more physically correct way of handling the interaction of turbulence on combustion is further developed and tested. As turbulence involves randomness, stochastic modeling is used. Averaged values such as temperature and species concentration are found by integrating the probability density function (pdf) over the range of the scalar. The model in this work does not assume the pdf type, but solves for the evolution of the pdf using the Monte Carlo solution technique. The model is further developed by including a more robust reaction solver, by using accurate thermodynamics and by more accurate transport elements. The stochastic method is used with Semi-Implicit Method for Pressure-Linked Equations. The SIMPLE method is used to solve for velocity, pressure, turbulent kinetic energy and dissipation. The pdf solver solves for temperature and species concentration. Thus, the method is partially familiar to combustor engineers. The method is compared to benchmark experimental data and baseline calculations. The baseline method was tested on isothermal flows, evaporating sprays and combusting sprays. Pdf and baseline predictions were performed for three diffusion flames and one premixed flame. The pdf method predicted lower combustion rates than the baseline method in agreement with the data, except for the premixed flame. The baseline and stochastic predictions bounded the experimental data for the premixed flame. The use of a continuous mixing model or relax to mean mixing model had little effect on the prediction of average temperature. Two grids were used in a hydrogen diffusion flame simulation. Grid density did not effect the predictions except for peak temperature and tangential velocity. The hybrid pdf method did take longer and required more memory, but has a theoretical basis to extend to many reaction steps which cannot be said of current turbulent combustion models.

VanOverbeke, Thomas J.↗
DOE OSTI2013

A MODEL FOR THE CORRELATION OF HARD X-RAY INDEX WITH EDDINGTON RATIO IN BLACK HOLE X-RAY BINARIES

Observations show that there is a positive correlation between the Eddington ratio {lambda} and hard X-ray index {Gamma} for {lambda} {approx}> 0.01, and there is an anti-correlation between {lambda} and {Gamma} for {lambda} {approx}< 0.01 in black hole X-ray binaries (with {lambda} = L {sub bol}/L {sub Edd}). In this work, we theoretically investigate the correlation between {Gamma} and {lambda} within the framework of a disk-corona model. We improve the model by taking into account all cooling processes, including synchrotron and self-Compton radiations in the corona, Comptonization of the soft photons from the underlying accretion disk, and the bremsstrahlung radiations. Presuming that the coronal flow above the disk can reach up to the 0.1 Eddington rate at the outer region, we calculate the structure of the two-phase accretion flows and the emergent spectra for accretion rates from 0.003 to 0.1. We find that at accretion rates larger than bsim0.01 Eddington rate, a fraction of coronal gas condenses into the disk and an inner disk can be sustained by condensation. In this case, the X-ray emission is dominated by the scattering of the soft photon from the underlying disk in the corona. The emission from the inner disk and corona can produce the positive correlation between {lambda} and {Gamma}. While at accretion rates lower than bsim0.01 Eddington accretion rate, the inner disk vanishes completely by evaporation, and the accretion is dominated by advection-dominated accretion flows (ADAFs), in which the X-ray emission is produced by the Comptonization of the synchrotron and bremsstrahlung photons of ADAF itself. The emission from ADAFs can produce the anti-correlation between {lambda} and {Gamma}. We show that our model can roughly explain the observed evolution of {Gamma}{sub 3-25keV} with L {sub 0.5-25keV}/L {sub Edd} for the black hole X-ray transient H1743-322 in the decay of 2003 from the thermal-dominated state to low/hard state.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

Time dependent Schrödinger equation for black hole evaporation: No information loss

In 1976 S. Hawking claimed that “Because part of the information about the state of the system is lost down the hole, the final situation is represented by a density matrix rather than a pure quantum state”. This was the starting point of the popular “black hole (BH) information paradox”. In a series of papers, together with collaborators, we naturally interpreted BH quasi-normal modes (QNMs) in terms of quantum levels discussing a model of excited BH somewhat similar to the historical semi-classical Bohr model of the structure of a hydrogen atom. Here we explicitly write down, for the same model, a time dependent Schrödinger equation for the system composed by Hawking radiation and BH QNMs. The physical state and the correspondent wave function are written in terms of a unitary evolution matrix instead of a density matrix. Thus, the final state results to be a pure quantum state instead of a mixed one. Hence, Hawking’s claim is falsified because BHs result to be well defined quantum mechanical systems, having ordered, discrete quantum spectra, which respect ’t Hooft’s assumption that Schrödinger equations can be used universally for all dynamics in the universe. As a consequence, information comes out in BH evaporation in terms of pure states in a unitary time dependent evolution. In Section 4 of this paper we show that the present approach permits also to solve the entanglement problem connected with the information paradox.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Characterizing Drought Behavior in the Colorado River Basin Using Unsupervised Machine Learning

Drought is a pressing issue for the Colorado River Basin (CRB) due to the social and economic value of water resources in the region and the significant uncertainty of future drought under climate change. Here, we use climate simulations from various Earth System Models (ESMs) to force the Variable Infiltration Capacity hydrologic model and project multiple drought indicators for the sub-watersheds within the CRB. We apply an unsupervised machine learning (ML) based on Non-Negative Matrix Factorization using K-means clustering (NMFk) to synthesize the simulated historical, future, and change in drought indicators. The unsupervised ML approach can identify sub-watersheds where key changes to drought indicator behavior occur, including shifts in snowpack, snowmelt timing, precipitation, and evapotranspiration. While changes in future precipitation vary across ESMs, the results indicate that the Upper CRB will experience increasing evaporative demand and surface-water scarcity, with some locations experiencing a shift from a radiation-limited to a water-limited evaporation regime in the summer. Large shifts in peak runoff are observed in snowmelt-dominant sub-watersheds, with complete disappearance of the snowmelt signal for some sub-watersheds. The work demonstrates the utility of the NMFk algorithm to efficiently identify behavioral changes of drought indicators across space and time and to quickly analyze and interpret hydro climate model results.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2017

A Comparison of System Architectures for a Mechanically Pumped Two-Phase Thermal Control System

The NASA Jet Propulsion Laboratory is developing a mechanically pumped two-phase fluid loop thermal control system to enable novel mission designs and greater science return. Pumped two-phase fluid loops have the potential to provide robust and effective thermal control that combine the best aspects of passive two-phase systems (heat pipes) and mechanically pumped single-phase fluid loops. The current program requirements include the development of a system with multiple 1 sq.m evaporators, each of which is capable of remaining spatially and temporally isothermal while accommodating heat loads of up to 500 W and local fluxes of up to 5 W/sq.cm. The goal is to attain this using less than 5 W of power. Such a system would be able to accommodate the next generation of payload and bus electronics while using minimal resources. This paper compares two different mechanically pumped two-phase fluid loop architectures in the context of these requirements. A mixed flow and separated flow architecture are compared on a theoretical and experimental basis. Test data from sub-scale, single evaporator/single condenser, mixed flow and separated flow testbeds are presented. In addition, a model is introduced to better understand separated flow systems and some expressions for the theoretical performance limits of such systems are developed. To date, the investigation suggests that a separated flow architecture is better suited to the program requirements. Separated flow systems have the potential to accommodate an isothermalizing two-phase evaporator while using lower levels of power than would be required for a mixed flow system. In addition, it is argued that separated flow systems are more robust and amenable to analysis than mixed flow systems, since they significantly reduce the occurrence of two-phase flow by separating phases in the evaporator. Future work will include developing a full-scale testbed that includes multiple evaporators and condensers in a representative flight configuration.

Furst, Benjamin↗
DOE OSTI2015

Non-monotonic effect of growth temperature on carrier collection in SnS solar cells

We quantify the effects of growth temperature on material and device properties of thermally evaporated SnS thin-films and test structures. Grain size, Hall mobility, and majority-carrier concentration monotonically increase with growth temperature. However, the charge collection as measured by the long-wavelength contribution to short-circuit current exhibits a non-monotonic behavior: the collection decreases with increased growth temperature from 150 °C to 240 °C and then recovers at 285 °C. Fits to the experimental internal quantum efficiency using an opto-electronic model indicate that the non-monotonic behavior of charge-carrier collection can be explained by a transition from drift- to diffusion-assisted components of carrier collection. The results show a promising increase in the extracted minority-carrier diffusion length at the highest growth temperature of 285 °C. These findings illustrate how coupled mechanisms can affect early stage device development, highlighting the critical role of direct materials property measurements and simulation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2011

Role of break-up processes in the fusion of the {sup 12}C+ {sup 52}Cr system

We present the results and analysis of our investigation of the role of break-up processes on the fusion of a {sup 12}C{sup 6+} beam with a {sup 52}Cr target near, at, and above the Coulomb barrier. In this experiment the excitation functions of evaporation residues produced via ({sup 12}C, 2n), ({sup 12}C, pxn), ({sup 12}C, {alpha}xn), and ({sup 12}C, {alpha}pxn) channels in a {sup 12}C + {sup 52}Cr reaction were measured at several beam energies ranging from {approx_equal}51 to 87 MeV by employing the recoil catcher technique followed by off-line {gamma}-ray spectrometry. The measured excitation functions were compared with theoretical values obtained using the pace4 statistical model code. Further, for a ({sup 12}C, p2n) channel the measured excitation function was compared with the predictions of the alice-91 code, which was chosen as it takes into account pre-equilibrium emissions. For non-{alpha}-emitting channels, the experimentally measured excitation functions--after correcting them for possible contributions from higher charge isobaric precursor decays--were, in general, found to be in good agreement with theoretical predictions. However, for {alpha}-emitting channels, the measured excitation functions had significantly more production cross sections than what pace4 predicted. This enhancement may be attributed to incomplete fusion processes. An attempt was made to estimate the incomplete fusion fraction in order to compare the relative importance of complete and incomplete fusion processes. The incomplete fusion fraction was found to be sensitive to the projectile energy and mass asymmetry of the entrance channel. We also discuss the results in terms of the impact of the frozen {alpha}-cluster structure of the {sup 12}C isotope on various fusion reactions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2026

Virtual refrigerant charge sensing algorithm for residential CO₂ heat pumps

Natural refrigerants are increasingly adopted in next-generation heat pump systems, among which CO₂ heat pumps have attracted significant attention. However, due to their high operating pressures, the leakage risk is higher, resulting in undercharge conditions and degraded heat pump performance. Thus, developing an accurate refrigerant charge level detection technique is necessary to guarantee safe and efficient operation. Although virtual refrigerant charge (VRC) level calculation algorithms for CO₂ heat pumps exist, they typically rely on empirically selected features without a systematic selection framework, leading to multicollinearity and potential overfitting, which limit their prediction accuracy and generalizability. To address these issues, this study proposes a VRC algorithm framework with a systematic feature selection method that identifies physically meaningful and statistically significant features, and is applied using a residential CO₂ heat pump as a case study. The method is extended from previous work on conventional refrigerants to account for charge behavior in CO₂ gas coolers. The selected features include gas cooler outlet density, evaporator pressure, and superheat temperature. The results demonstrate that the proposed feature selection method significantly improves prediction accuracy compared to existing VRC approaches. A relatively small training dataset (∼30 samples) is sufficient for feature identification and model development. The developed algorithm achieves less than 3% prediction error under both undercharge and overcharge conditions, representing reductions of 46.7% and 35.3% compared to two recent reference VRC algorithms for transcritical CO₂ heat pumps reported in the literature. The proposed algorithm and feature selection method enhance leakage detection capability, facilitate the deployment of CO₂ heat pump systems, and contribute to reduced energy waste and maintenance costs.

Guo, Fangzhou [Lawrence Berkeley National Laborato↗
DOE OSTI2015

Preparation and characterization of the rod-shaped stibnite

Highlights: • A facile route to synthesize large-scale rod-like Sb{sub 2}S{sub 3} micro-wires was presented. • A deep analysis conjoint between band tails, band gap alteration and electrical model. • The band gap is 1.75 eV which may hold for solar energy conversion. - Abstract: Stibnite (Sb{sub 2}S{sub 3}) micro-wires have been grown on glass substrates by sulfuration of Sb thermal evaporated film in a vacuum sealed tube in presence of sulfur powder at 300 °C for 6 h. X-ray diffraction and Raman spectroscopy techniques indicate that the synthesized micro-wires have an orthorhombic structure. SEM micrographs show rod-shaped micro-wires with a typical length of several tens of micrometers and a diameter of the order of 0.5 μm. The absorption coefficient dependence on the photon energy in the UV–visible range revealed the existence of a direct transition with an energy band gap of about 1.7 eV. Moreover, the band tails and localized states which are related to the level of defects in the material will be presented. These parameters were determined from the exponential absorption profile. All these results have been evaluated and discussed in terms of alteration of band gap edge and electrical measurements.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Simulating Droplet-Resolved Haze and Cloud Chemistry Forming Secondary Organic Aerosols in Turbulent Conditions within Laboratory and Cloud Parcels

Most of our existing knowledge of cloud chemistry in regards to forming secondary organic aerosols (SOA) is based on measurements in bulk aqueous solutions. However, SOA reaction kinetics derived from bulk solution measurements might differ from the kinetics in actual cloud droplets, since turbulent mixing and ionic strengths, and ratio of surface area to volume in individual cloud droplets might vary substantially from bulk solutions in the real atmosphere. Three-dimensional models at various scales have been used to simulate aqueous chemistry. However, most of these models do not resolve turbulence down to the smallest length scales of 1 mm and do not simulate cloud chemistry in individual cloud droplets due to large computational costs. Here we incorporate the formation of isoprene epoxydiol SOA (IEPOX-SOA) in individual droplets within a one-dimensional explicit mixing parcel model (EMPM-Chem). We apply EMPM-Chem to simulate turbulence and droplet-resolved IEPOX-SOA formation using a configuration based on the Michigan Tech Pi chamber. We find that the dissolution of IEPOX gases is weighted more towards larger cloud droplets due to their large liquid water content (compared to smaller droplets), while the conversion of dissolved IEPOX to IEPOX-SOA is much greater within smaller deliquesced haze particles due to their higher acidity and ionic strengths compared to cloud droplets. We also find that as droplet residence times increase in the chamber, e.g., due to increasing ammonium bisulfate seed aerosol injection rates and/or increasing heights of the chamber, formation of IEPOX-SOA increases substantially. Thus, our EMPM-Chem model could be used to design future cloud chambers to maximize SOA production from cloud chemistry. We also apply the EMPM-Chem model to simulate how IEPOX-SOA formation evolves in individual cloud droplets within rising cloudy parcels in the atmosphere. We find that as subsaturated air is entrained into and turbulently mixed with the cloud parcel, evaporation causes a reduction in droplet sizes, which leads to corresponding increases in per droplet ionic strength and acidity. Increased droplet acidity in turn greatly accelerates the kinetics of IEPOX-SOA formation. In conclusion, our results provide key insights into single-cloud-droplet chemistry, suggesting that entrainment mixing may be an important process that increases SOA formation in the real atmosphere.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Generalized Brunauer–Emmett–Teller Isotherm for Mixed-Gas Multilayer Adsorption Equilibria

Here, this work presents a rigorous thermodynamic framework to calculate mixed-gas multilayer adsorption equilibria from single-component isotherms and vapor–liquid equilibria. Named the generalized Brunauer–Emmett–Teller (gBET) isotherm, the newly formulated isotherm considers adsorbent surface heterogeneity, competitive adsorption on the monolayer, condensation–evaporation on the subsequent layers, and adsorbed phase nonideality for the monolayer and the subsequent layers. The monolayer adsorbed phase nonideality is tracked by using an area-based adsorption nonrandom two-liquid activity coefficient model. The adsorbed phase composition and corresponding nonideality in the subsequent layers are calculated at the dew point condition of the mixed gas with either an equation of state or an activity coefficient model for the vapor–liquid equilibria. The proposed model is validated with six single and three binary multilayer adsorption equilibrium systems, and the model results are compared against those from the classical BET isotherm for single-component adsorption and ideal adsorbed solution theory for mixed-gas adsorption equilibria.

09 BIOMASS FUELS↗