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At least 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

A Microporous Amic Acid Polymer for Enhanced Ammonia Capture

Amic acids, consisting of carboxylic acids and amides, are often utilized as intermediates that can further undergo a dehydration–cyclization step to yield polymeric cyclic imides. Compared with imide-based materials, the presence of Brønsted acidic groups and multiple hydrogen-bond donors and acceptors in materials incorporating amic acids opens up the possibility for a variety of host–guest interactions. Here in this paper we report a facile and catalyst-free synthesis of a Brønsted acidic porous poly(amic acid) (PAA) and present its NH 3 uptake properties using gas adsorption and breakthrough measurements. Simple addition of water as a cosolvent to a mixture of tetrakis(4-aminophenyl)methane and pyromellitic anhydride resulted in the formation of PAA in almost quantitative yield. Further mechanistic studies with model compounds revealed the importance of additive water to generate amic acid species selectively without forming cyclic imides at high temperatures. Gas adsorption isotherms and breakthrough curves obtained under dry and humid conditions demonstrate the enhanced NH 3 uptake in the case of PAA compared with the related polycyclic imide at both low and high pressures. Furthermore, the results of adsorption/desorption cycling experiments provide insights into the strength of the interaction between ammonia and the polymers.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Flagella-Mediated Differences in Deposition Dynamics for Azotobacter vinelandii in Porous Media

A multi-scale approach was designed to investigate deposition of flagellated and non-flagellated strains of Azotobacter vinelandii in porous media. In a radial stagnation point flow cell (RSPF), the deposition rate of the flagellated strain (DJ77) on quartz was higher than that of the non-flagellated (Fla-) strain. In contrast, deposition of the Fla- strain exceeded that of DJ77 in two-dimensional silicon microfluidic models (micromodels) and in columns packed with glass beads. Direct cell counts in micromodel experiments showed decreasing values of clean collector removal efficiencies over time, suggesting that approaching cells were blocked from deposition by cells already attached to the collector surface. Column breakthrough curves for both strains also showed a decrease in deposition rates with time. Modeling results showed that blocking becomes effective for DJ77 strain at lower ionic strengths (1mM and 10mM), while for Fla- strain blocking was similar at all ionic strengths. In later stages of micromodel experiments, a ripening effect was also observed, where cells preferentially attached to already attached cells. Ripening happened earlier with the Fla- strain, which suggested that flagella interfered with ripening. Different mechanisms dominate at different stages of bacteria transport in porous media.

bacteria transport, porous media, flagella, microm↗
DOE OSTI2012

Three-Dimensional Bayesian Geostatistical Aquifer Characterization at the Hanford 300 Area using Tracer Test Data

Tracer testing under natural or forced gradient flow holds the potential to provide useful information for characterizing subsurface properties, through monitoring, modeling and interpretation of the tracer plume migration in an aquifer. Non-reactive tracer experiments were conducted at the Hanford 300 Area, along with constant-rate injection tests and electromagnetic borehole flowmeter (EBF) profiling. A Bayesian data assimilation technique, the method of anchored distributions (MAD) [Rubin et al., 2010], was applied to assimilate the experimental tracer test data with the other types of data and to infer the three-dimensional heterogeneous structure of the hydraulic conductivity in the saturated zone of the Hanford formation. In this study, the Bayesian prior information on the underlying random hydraulic conductivity field was obtained from previous field characterization efforts using the constant-rate injection tests and the EBF data. The posterior distribution of the conductivity field was obtained by further conditioning the field on the temporal moments of tracer breakthrough curves at various observation wells. MAD was implemented with the massively-parallel three-dimensional flow and transport code PFLOTRAN to cope with the highly transient flow boundary conditions at the site and to meet the computational demands of MAD. A synthetic study proved that the proposed method could effectively invert tracer test data to capture the essential spatial heterogeneity of the three-dimensional hydraulic conductivity field. Application of MAD to actual field data shows that the hydrogeological model, when conditioned on the tracer test data, can reproduce the tracer transport behavior better than the field characterized without the tracer test data. This study successfully demonstrates that MAD can sequentially assimilate multi-scale multi-type field data through a consistent Bayesian framework.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2011

Comparison of Fickian and temporally nonlocal transport theories over many scales in an exhaustively sampled sandstone slab

It is not a compelling argument, solely on the basis of a better fit to solute breakthrough curve (BTC) data, that a temporally nonlocal model is necessary to simulate transport in an advection-dominated system. One may counter that the classical advection-dispersion equation (ADE) is a valid model at some small scale and that the detailed hydraulic conductivity (K) data must be well-represented: then the nonlocality is only a result of upscaling and loss of information. But is the nonlocal model demonstrably necessary at all scales? We examine the experiment conducted by Klise et al. (2008) in which a 30.5 by 30.5 cm slab of relatively homogeneous, cross-bedded sandstone was exhaustively sampled for K. The slab was sealed, saturated with potassium iodide, and X-rayed 10 times while being flushed with fresh water. The 8,649 air-permeameter measurements were down- and upscaled to make finer and coarser grids on which the velocity field was solved and the ADE applied. The optimized parameters in the ADE were found to scale predictably, most notably the longitudinal dispersivity (α L ), which grew linearly with upscaling. But at all levels of up- and downscaling, including the original K measurement scale of 0.33 cm, the ADE did not adequately represent the late-time tails. The temporally nonlocal, time- fractional ADE (t-FADE) was applied and the optimized parameters (α L and the immobile capacity beta) did not depend on scale. The better fit provided by the t-FADE in the late BTC tails did not bring about a sacrificed fit elsewhere in the BTC. Furthermore, the optimized ADE and t-FADE solutions do not converge at the smallest scale, directly implying that the temporal nonlocality is a necessary model component. We conclude that the logical inference if the ADE is valid in heterogeneous material, then there is tailing in the BTC'' is not a proof that the reverse is true. We provide a clear counterexample. A corollary is that a mismatch between data and a discretized solution to the ADE does not imply that more data will improve fits or predictive ability.

58 GEOSCIENCES↗
DOE OSTI2019

Characterizing the Influence of Fracture Density on Network Scale Transport

The topology of natural fracture networks is inherently linked to the structure of the fluid velocity field and transport therein. Here we study the impact of network density on flow and transport behaviors. We stochastically generate fracture networks of varying density and simulate flow and transport with a discrete fracture network model, which fully resolves network topology at the fracture scale. We study conservative solute trajectories with Lagrangian particle tracking and find that as fracture density decreases, solute channelization to large local fractures increases, thereby reducing plume spreading. Furthermore, in sparse networks mean particle travel distance increases and local network features, such as velocity zones where flow is counter to the primary pressure gradient, become increasingly important for transport. As the network density increases, network statistics homogenize and such local features have a reduced impact. We quantify local topological influence on transport behavior with an effective tortuosity parameter, which measures the ratio of total advective distance to linear distance at the fracture scale; large tortuosity values are correlated to slow-velocity regions. Additionally, these large tortuosity, slow-velocity regions delay downstream transport and enhance tailing on particle breakthrough curves. Finally, we predict transport with an upscaled, Bernoulli spatial Markov random walk model and parameterize local topological influences with a novel tortuosity parameter. Furthermore, Bernoulli model predictions improve when sampling from a tortuosity distribution, as opposed to a fixed value as has previously been done, suggesting that local network topological features must be carefully considered in upscaled modeling efforts of fracture network systems.

58 GEOSCIENCES↗
DOE OSTI2020

Predictive Inverse Model for Advective Heat Transfer in a Short–Circuited Fracture: Dimensional Analysis, Machine Learning, and Field Demonstration

Identifying fluid flow maldistribution in planar geometries is a well–established problem in subsurface science/engineering. Of particular importance to the thermal performance of enhanced (or “engineered”) geothermal systems is identifying the existence of nonuniform (i.e., heterogeneous) permeability and subsequently predicting advective heat transfer. Here, machine learning via a genetic algorithm (GA) identifies the spatial distribution of an unknown permeability field in a two–dimensional Hele–Shaw geometry (i.e., parallel plates). The inverse problem is solved by minimizing the L2 norm between simulated residence time distribution (RTD) and measurements of an inert tracer breakthrough curve (BTC) (C–Dot nanoparticle). Principal component analysis (PCA) of spatially correlated permeability fields enabled reduction of the parameter space by more than a factor of 10 and restricted the inverse search to reservoir–scale permeability variations. Thermal experiments and tracer tests conducted at the mesoscale Altona Field Laboratory (AFL) demonstrate that the method accurately predicts the effects of extreme flow channeling on heat transfer in a single bedding–plane rock fracture. However, this is only true when the permeability distributions provide adequate matches to both tracer RTD and frictional pressure loss. Without good agreement to frictional pressure loss, it is still possible to match a simulated RTD to measurements, but subsequent predictions of heat transfer are grossly inaccurate. Here, the results of this study suggest that it is possible to anticipate the thermal effects of flow maldistribution, but only if both simulated RTDs and frictional pressure loss between fluid inlets and outlets are in good agreement with measurements.

42 ENGINEERING↗
DOE OSTI2021

On the Reliability of Parameter Inferences in a Multiscale Model for Transport in Stream Corridors

Nonreacting tracer tests capture information about physical processes in transient storage zones including the hyporheic zone (HZ). However, reliably extracting this information from breakthrough curves (BTCs) and distinguishing the effects of in-channel dispersion and transient storage are well-known challenges. Using BTCs from a nonreacting tracer test monitored at multiple locations, we explore ways for reliable parameter estimations. The identifiability of parameters is greatly influenced by the choice of forward and inverse modeling frameworks in addition to the quality of the data. Our forward model is a recently proposed multiscale model that uses subgrid transport models written in the Lagrangian form to represent transport along a diverse set of HZ pathways with a shape-free distribution of travel times. Joint distributions of HZ and channel parameters are estimated using the Markov Chain Monte Carlo technique. Numerical experiments show ambiguity between channel dispersion and HZ transport when the reach length is too short to allow significant solute-HZ interaction, the observation period is too brief to observe the tailing behavior, or the solute source is spread in time. In contrast, we obtained reliable parameter estimates by simultaneously fitting BTCs observed at different locations in the test reach using a single set of HZ parameters and section-specific channel areas and dispersion coefficients. Furthermore, this study demonstrates the estimation of travel time distributions, HZ exchange rates, and channel parameters in a new multiscale approach and offers guidance for extracting reliable parameter estimates from multiple BTCs.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Hyporheic Exchange Due to Cobbles on Sandy Beds

Hyporheic exchange induced by riverbed topography and roughness provides important ecosystem functions. We investigated how cobble clusters embedded in a finer-grained sand bed affect the near-bed channel flow and the exchange of surface and subsurface water. We tested how the spacing and embeddedness of cobbles altered hyporheic exchange through a three-dimensional fully coupled surface-subsurface model. The 3D modeling framework captured the full physics of the exchange process locating the lateral position of upwelling zones on the side of the cobble. As the cobbles protrude more into the channel, eddies appear downstream, with smaller vortices where cobbles are closer together. In our simulations, hyporheic exchange increased with the spacing and protrusion ratio. The travel time in the hyporheic zone also increased with the protrusion ratio because the hyporheic flow paths are longer when the cobble is more protruded. With different spacings at the highest protrusion ratio, the average slope of early time breakthrough curve was steeper for large spacing settings: the travel time increases as the spacing decreases.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Effects of Dissolution Regimes on Flow Channelization and Solute Transport in 3D Fracture Networks: Insights From Graph‐Based Reactive Transport Modeling

We investigate how mineral dissolution reshapes flow pathways and solute transport in three‐dimensional discrete fracture networks using a computationally efficient graph‐based reactive transport model. The DFNs are inspired by field‐site observations of fractured carbonate and represent realistic connectivity and structural heterogeneity. Flow is simulated with the Reynolds equation, and dissolution follows first‐order kinetics with diffusive limitations captured through an effective mass‐transfer coefficient. By systematically varying two key dimensionless parameters, the effective Damköhler number (Da), governing reaction versus advection rates, and a transport parameter (Da), analogous to the Thiele modulus, distinct flow channelization regimes emerge: mildly channelized at low G, highly channelized at intermediate Da, and extreme wormhole formation at high Da and low G. Eulerian and Lagrangian analyses, including breakthrough curves, particle tortuosity, dispersivity, and flow channeling indicators quantitatively characterize the progression of dissolution‐driven network restructuring. Across all regimes, initial fracture heterogeneity persists. The results underscore how the interplay between this initial structure, advection, reaction, and diffusion critically shapes subsurface flow pathways, with implications for applications ranging from groundwater remediation to enhanced geothermal systems.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Asymmetric rotations slow down diffusion under confinement

Translation and rotation are the two most fundamental forms of diffusion, yet their coupling mechanism is not clear, especially under confinement. Here, we provided evidence of the coupling between rotation and translation using a substituted benzene molecule as an example. A counterintuitive behavior was observed where the movement of the smaller molecule with an asymmetric shape was unexpectedly slower than the larger one with a symmetric shape in confined channels of zeolite. We showed that this diffusion behavior was caused by the presence of the specific and selective interaction of the asymmetric guest with the pores, which increased the local restricted residence time, thus inhibiting the translation under confinement, as further confirmed by dynamic breakthrough curves, uptake measurements, quasi-elastic neutron scattering, and 2 H solid-state NMR techniques. Our work correlated asymmetric rotation and diffusion under a confined environment, which enriched our understanding of the coupling between rotation and translation and could shed light on a fundamental understanding of the diffusion process.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Investigating the Potential for Recovering REEs from Coal Fly Ash and Power Plant Wastewater with an Engineered Sorbent

The global demand for rare earth elements (REE) has increased significantly in the past 20 years due to their extensive use in electronics and other applications. Although many recent studies related to quantifying rare earth elements in coal and coal combustion byproducts have been published, methods of extracting rare earth elements are still not economically feasible. The objective of our study is to investigate the potential extraction of the REEs from coal ash and from wastewater sludge collected from a power plant near Detroit, MI. The collected ash and sludge will undergo a hydrothermal extraction process developed by Los Alamos National Laboratory to extract REEs from the sludge or coal ash, resulting in a liquid enriched in dissolved REEs. Batch experiments were conducted using an organosilica adsorbent (Osorb) and a ligand [P-di(2-ethylhexyl) methanediphosphonic acid (DIPEX)] to extract neodymium from a synthetic hydrothermal extraction solution. DIPEX-associated Osorb media was produced by first dissolving DIPEX into a solvent (e.g., methanol). Different amounts of DIPEX-methanol solution were then added to 0.2 g of Osorb to determine the maximum sorption capacity. The methanol was evaporated and, after a rinse step, the DIPEX-Osorb sorbent was used in sorption experiments. A 300 ppm neodymium (Nd) synthetic ash/sludge leachate was tested with the various DIPEX-Osorb media. Results show that DIPEX-Osorb ratios of 4.3, 1.1, 0.5, and 0.05 mL/g sorbed 60, 51, 25, and 7 mg Nd per g media, respectively. Since the 4.3 mL DIPEX/g Osorb media sorbed 100% of the Nd in the solution, a higher capacity is expected and these experiments are ongoing. Breakthrough curve for of the sorption of Nd to Osorb was conducted and showed a higher sorption ratio when the Nd concentration increased. We are also investigating the reusability of the DIPEX-Osorb media by measuring how many cycles the media can be regenerated by extracting the Nd with nitric acid and reusing the sorbent for another cycle.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2014

Mobility of heavy metals through granitic soils using mini column infiltration test

This study is about the mobility of cadmium through compacted granitic soils. Two granitic soils namely the Broga (BGR) and Kajang (KGR) granitic soils were collected in Selangor, Malaysia. Physical and chemical tests were applied for both granitic soils to determine the physical and chemical properties of soil materials. Physical test results shows granitic soils (BGR and KGR) have high percentage of sand ranging between 54%–63% and 46%–54% respectively, an intermediate and intermediate to high plasticity index as well as high specific gravity ie; 2.50–2.59 and 2.45–2.66 respectively. For chemical test, granitic soils shows acidic pH values ranged from 5.35–5.85 for BGR and pH 5.32–5.54 for KGR. For organic matter, SSA and CEC test, it shows low values ranged from 0.22%–0.34% and 0.39%– 0.50% respectively for organic matter test, 17.96 m{sup 2}/g–21.93 m{sup 2}/g and 25.76 m{sup 2}/g–26.83 m{sup 2}/g respectively for SSA test and 0.79 meq/100g–1.35 meq/100g and 1.31 meq/100g–1.35 meq/100g respectively for CEC test. Mini column infiltration test was conducted to determine the retention of cadmium while flowing through granite soils. This test conducted based on the falling head permeability concepts. Different G-force ranging from 231G to 1442G was used in this test. The breakthrough curves show the concentration of Cd becomes higher with the increasing of G-force for both granitic samples (BGR and KGR). The selectivity sorption for both granites ranked in the following decreasing order of; 231G>519G>923G>1442G. Results demonstrated that granitic soils also have low buffering capacity due to low resist of pH changes.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2018

Impacts of Methane on Carbon Dioxide Storage in Brine Formations

In the context of geological carbon sequestration (GCS), carbon dioxide (CO 2 ) is often injected into deep formations saturated with a brine that may contain dissolved light hydrocarbons, such as methane (CH 4 ). In this multicomponent multiphase displacement process, CO 2 competes with CH 4 in terms of dissolution, and CH 4 tends to exsolve from the aqueous into a gaseous phase. Because CH 4 has a lower viscosity than injected CO 2 , CH 4 is swept up into a ‘bank’ of CH 4 –rich gas ahead of the CO 2 displacement front. On the one hand, this may provide a useful tracer signal of an approaching CO 2 front. On the other hand, the emergence of gaseous CH 4 is undesirable because it poses a leakage risk of a far more potent greenhouse gas than CO 2 if the cap rock is compromised. Open fractures or faults and wells could result in CH 4 contamination of overlying groundwater aquifers as well as surface emissions. We investigate this process through detailed numerical simulations for a large–scale GCS pilot project (near Cranfield, Mississippi) for which a rich set of field data is available. An accurate cubic–plus–association equation–of–state is used to describe the non–linear phase behavior of multiphase brine–CH 4 –CO 2 mixtures, and breakthrough curves in two observation wells are used to constrain transport processes. Furthermore, both field data and simulations indeed show the development of an extensive plume of CH 4 –rich (up to 90 mol%) gas as a consequence of CO 2 injection, with important implications for the risk assessment of future GCS projects.

58 GEOSCIENCES↗
DOE OSTI2022

Single–Well Injection–Drift Test to Estimate Groundwater Velocity

A simple algebraic equation is presented here to estimate the magnitude of groundwater velocity based on data from a single-well injection-drift test thereby eliminating the time-consuming and costly extraction phase. A volume of tracer-amended water was injected by forced-gradient into a single well followed by monitoring of the conservative solute tracers under natural-gradient conditions as their upgradient portions drifted back through the well. The breakthrough curve data from the single well during the drift phase was analyzed to determine the mean travel times of the tracers. The estimated mean upgradient travel distance back through the single well and the mean travel times of the tracers were used in a simple algebraic equation to estimate groundwater velocity. The groundwater velocity based on the single-well injection-drift test was estimated to be approximately 0.64 ft per day. Two transects of observation wells were used to monitor the natural-gradient tracer transport downgradient of the injection well. The one-dimensional, or dual-well, transport of the tracer from the injection well to the nearest downgradient observation well indicated that the groundwater velocity was 0.55 ft per day. The two-dimensional, or multi-well, transport of the center of mass of the tracers indicated that the groundwater velocity was 0.60 ft per day; the dual- and multi-well results were in excellent agreement with those from the single-well and validated the simple algebraic equation. In conclusion, the new single-well method presented here is relatively simple, rapid, and does not require an extraction phase.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Performance of a CO 2 sorbent for indoor air cleaning applications: Effects of environmental conditions, sorbent aging, and adsorption of co-occurring formaldehyde

Indoor air cleaning systems that incorporate CO 2 sorbent materials enable HVAC load shifting and efficiency improvements. This study developed a bench-scale experimental system to evaluate the performance of a sorbent under controlled operation conditions. A thermostatic holder containing 3.15 g sorbent was connected to a manifold that delivered CO 2 -enriched air at a known temperature and relative humidity (RH). The air stream was also enriched with 0.8-2.1 ppm formaldehyde. The CO 2 concentration was monitored in real-time upstream and downstream of the sorbent, and integrated formaldehyde samples were collected at different times using DNPH-coated silica cartridges. Sorbent regeneration was carried out by circulating clean air in countercurrent. Almost 200 loading/regeneration cycles were performed in the span of 17 months, from which 104 were carried out at reference test conditions defined by loading with air at 25°C, 38% RH, and 1000 ppm CO 2 , and regenerating with air at 80°C, 3% RH and 400 ppm CO 2 . The working capacity decreased slightly from 43-44 mg CO 2 per g sorbent to 39-40 mg per g over the 17 months. The capacity increased with lower loading temperature (in the range 15-35°C) and higher regeneration temperature, between 40 and 80°C. The CO 2 capacity was not sensitive to the moisture content in the range 6-9 g/m 3 , and decreased slightly when dry air was used. Loading isothermal breakthrough curves were fitted to three simple adsorption models, verifying that pseudo-first-order kinetics appropriately describes the adsorption process. The model predicted that equilibrium capacities decreased with increasing temperature from 15 to 35°C, while adsorption rate constants slightly increased. The formaldehyde adsorption efficiency was 80%-99% in different cycles, corresponding to an average capacity of 86 ± 36 µg/g. Formaldehyde was not quantitatively released during regeneration, but its accumulation on the sorbent did not affect CO 2 adsorption.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2012

A Microsoft Excel Program for Two-Well Tracer Test Data Analysis

Two-well tracer tests are often conducted to investigate subsurface solute transport in the field. Analyzing breakthrough curves in the extraction and monitoring wells using numerical methods is nontrivial due to highly nonuniform flow conditions. We extended, and implemented analytical solutions for the convection-dispersion equation for an injection-extraction well-duplet in a homogeneous confined aquifer under steady state conditions. Functions were provided to calculate the concentrations in the extraction and monitoring wells at any location due to a step or pulse injection. Type curves for a step injection were compared with those calculated by numerically integrating the solution for a pulse injection. The results from the two approaches are similar when the dispersivity is small. As the dispersivity increases, the latter was found to be more accurate but requires more computing time. The code was verified by comparing the results with published type curves and applied to analyze data from the literature. It can be used as a first approximation for two-well tracer test data analysis, and to check accuracy of numerical solutions. The code and example files are publically-available.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Deconvolution of metal apportionment in bulk metal-organic frameworks

We report a general route to decipher the apportionment of metal ions in bulk metal-organic frameworks (MOFs) by solid-state nuclear magnetic resonance spectroscopy. We demonstrate this route in Mg 1-x Ni x -MOF-74, where we uncover all eight possible atomic-scale Mg/Ni arrangements through identification and quantification of the distinct chemical environments of 13 C-labeled carboxylates as a function of the Ni content. Here, we use magnetic susceptibility, bond pathway, and density functional theory calculations to identify local metal bonding configurations. The results refute the notion of random apportionment from solution synthesis; rather, we reveal that only two of eight Mg/Ni arrangements are preferred in the Ni-incorporated MOFs. These preferred structural arrangements manifest themselves in macroscopic adsorption phenomena as illustrated by CO/CO 2 breakthrough curves. We envision that this nondestructive methodology can be further applied to analyze bulk assembly of other mixed-metal MOFs, greatly extending the knowledge on structure-property relationships of MOFs and their derived materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Longitudinal dispersion coefficient depending on superficial velocity of hydrogen isotopes flowing in column packed with zeolite pellets at 77.4 K

Authors have been developing a cryogenic pressure swing adsorption system for hydrogen isotope separation. In the problem of its design and operation, it is necessary to predict the concentration profiles developing in packed beds of adsorbent pellets. The profiling is affected by the longitudinal dispersion of gas flowing in packed beds, in addition to the mass transfer resistance in porous media of adsorbent pellets. In this work, an equation is derived for estimating the packed-bed dispersion coefficient of hydrogen isotopes, by analyzing the breakthrough curves of trace D{sub 2} or HD replacing H{sub 2} adsorbed in synthetic zeolite particles packed columns at the liquefied nitrogen temperature 77.4 K. Since specialized for hydrogen isotopes, this equation can be considered to estimate the dispersion coefficients more reliable for the cryogenic hydrogen isotope adsorption process, than the existing equations. (authors)

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗