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NASA NTRS1986

Verification of post permanently manned configuration Space Station elements

An account is given of the techniques and ground systems designed to fulfill post permanently manned configuration (PMC) Space Station verification tasks. Consideration is given to analysis using computer math models and computer-aided interface verification systems, testing using simulators and interface mixtures, and special inspection. It is noted that an initial Space Station design that accommodates and facilitates verification is crucial to an effective verification program as well as proper instrumentation, built-in test capability, and a precise configuration management, control and record system. It is concluded that post PMC verification should be accounted for both in the initial Space Station design and in the subsequent development of initial assembly flight verification techniques and capabilities.

Scully, E. J.↗

DOE OSTI2020

A new approach for measuring the carbon and oxygen content of atmospherically relevant compounds and mixtures

Abstract. Due to its complexity, gas- and particle-phase organic carbon in the atmosphere is often classified by its bulk physicochemical properties. However, there is a dearth of robust, moderate-cost approaches to measure the bulk chemical composition of organic carbon in the atmosphere. This is particularly true for the degree of oxygenation, which critically affects the properties and impacts of organic carbon but for which routine measurement approaches are lacking. This gap has limited the understanding of a wide range of atmospheric components, including particulate matter, the mass of which is monitored worldwide due to its health and environmental effects but the chemical characterization of which requires relatively high capital costs and complex operation by highly trained technical personnel. In this work, we demonstrate a new approach to estimate the mass of carbon and oxygen in analytes and mixtures that relies only on robust, moderate-cost detectors designed for use with gas chromatography. Organic compounds entering a flame ionization detector were found to be converted with approximately complete efficiency to CO2, which was analyzed downstream using an infrared detector to measure the mass of carbon analyzed. The ratio of the flame ionization detector (FID) signal generated to CO2 formed (FID∕CO2) was shown to be strongly correlated (R2=0.89) to the oxygen-to-carbon ratio (O∕C) of the analyte. Furthermore, simple mixtures of analytes behaved as the weighted average of their components, indicating that this correlation extends to mixtures. These properties were also observed to correlate well with the sensitivity of the FID estimated by structure activity relationships (quantified as the relative effective carbon number). The relationships between measured FID∕CO2, analyte O∕C, and FID sensitivity allow the estimation of one property from another with <15 % error for mixtures and <20 % error for most individual analytes. The approach opens the possibility of field-deployable, autonomous measurement of the carbon and oxygen content of particulate matter using time-tested, low-maintenance detectors, though such an application would require some additional testing on complex mixtures. With some instrumental modifications, similar measurements on gas-phase species may be feasible. Moreover, the potential expansion to additional gas chromatography detectors may provide concurrent measurement of other elements (e.g., sulfur, nitrogen).

42 ENGINEERING↗

NASA NTRS1973

Regeneratively cooled rocket engine for space storable propellants

Analyses and experimental studies were performed with the OF2 (F2/O2)/B2H6 propellant combination over a range in operating conditions to determine suitability for a space storable pressure fed engine configuration for an extended flight space vehicle configuration. The regenerative cooling mode selected for the thrust chamber was explored in detail with the use of both the fuel and oxidizer as coolants in an advanced milled channel construction thrust chamber design operating at 100 psia chamber pressure and a nominal mixture ratio of 3.0 with a 60:1 area ratio nozzle. Benefits of the simultaneous cooling as related to gaseous injection of both fuel and oxidizer propellants were defined. Heat transfer rates, performance and combustor stability were developed for impinging element triplet injectors in uncooled copper calorimeter hardware with flow, pressure and temperature instrumentation. Evaluation of the capabilities of the B2H6 and OF2 during analytical studies and numerous tests with flow through electrically heated blocks provided design criteria for subsequent regenerative chamber design and fabrication.

Wagner, W. R.↗

DOE OSTI2022

Formulation of the density eigenvalue problem in neutron transport for relevant engineering applications

A new formulation of the density eigenvalue problem for the neutron transport equation is presented. This new eigenvalue, named ζ eigenvalue can be introduced freely in the transport model, acting on a selected portion of the phase space. Despite its broader applications and its connection with the nature of the transport operator, the ζ eigenvalue has been presented here mainly as a design-oriented technique for the efficient evaluation of the critical concentration for a specific nuclide (or mixture of nuclides). This new eigenvalue is particularly adequate to study the definition of the material composition in the criticality design process of a multiplying system. The method is then applied for the study of classical problems such as the critical moderation ratio and the poison concentration to control the reactor. Some results are presented in one dimensional configuration using the multi- group spherical harmonics approach. This eigenvalue formulation proves to be a convenient and useful way to attain criticality, also for complex, realistic systems.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2020

BioSTEAMDevelopmentGroup/thermosteam

BioSTEAM is a fast and flexible package for the design, simulation, and techno-economic analysis of biorefineries under uncertainty. BioSTEAM’s framework is built to streamline and automate early-stage technology evaluations and to enable rigorous sensitivity and uncertainty analyses. Complete biorefinery configurations are available at the Bioindustrial-Park GitHub repository, BioSTEAM’s premier repository for biorefinery models and results. The long-term growth and maintenance of BioSTEAM is supported through both community-led development and the research institutions invested in BioSTEAM. Through the open-source and community-lead platform, BioSTEAM aims to foster communication and transparency within the biorefinery research community for an integrated effort to expedite the evaluation of candidate biofuels and bioproducts. Additionally, an agile life cycle assessment (LCA) platform has been designed to interface with BioSTEAM, BioSTEAM-LCA. This open-source, installable package allows users to perform streamlined LCAs of biorefineries. The focus of BioSTEAM-LCA is to streamline and automate early-stage environmental impact analyses of processes and technologies, and to enable rigorous sensitivity and uncertainty analyses linking process design, performance, economics, and environmental impacts. ThermoSTEAM is a standalone thermodynamic engine capable of estimating mixture properties, solving thermodynamic phase equilibria, and modeling stoichiometric reactions. ThermoSTEAM builds upon chemicals, the chemical properties component of the Chemical Engineering Design Library, with a robust and flexible framework that facilitates the creation of property packages. The Biorefinery Simulation and Techno-Economic Analysis Modules (BioSTEAM) is dependent on ThermoSTEAM for the simulation of unit operations.

Cortes-Peña, Yoel↗

DOE OSTI2023

Visual Style Elements in Human–System Interface Design for Nuclear Power Operations: Does Style Affect Performance and Preference?

As the world increasingly adopts renewable and sustainable energy systems, transitionary solutions include nuclear power, which currently provides 20% of the United States’ electricity and is the largest single source of carbon-free electricity generation. Advanced reactors are a critical component of a carbon-free mixed energy portfolio that require careful design of first-of-a-kind control rooms. The application of Human Factors Engineering (HFE) is essential for scientific and iterative testing of novel human–system interface (HSI) concepts to ensure effective, efficient, and safe plant operations. Microworlds are simulators that use simplified physics models and control systems to distill nuclear power operations into essential functions. HFE scientists used the Rancor Microworld Simulator to obtain preference and performance metrics for novel and traditional static HSI design styles. Participants comprised advanced reactor company employees and nuclear industry consultants. A mixture of quantitative and qualitative data was captured. There was a preference for the basic graphical style that included high contrast and traditional color scheme elements. No single HSI design outperformed the others, and the participants did not perform better using their preferred HSI style. We report this experiment is the first in a series of HFE testing for HSIs in advanced reactor control room development. Clear user preferences emerged for elements within static displays. The cutting-edge neumorphic style was the least preferred. Future directions include tests of dynamic displays. HFE is used in evaluating and designing HSI devices that will improve the efficiency and safety of advanced nuclear power operations.

99 GENERAL AND MISCELLANEOUS↗

DOE OSTI2024

DNS of ignition and flame stabilization in a simplified gas turbine premixer

With the increasing need for fuel flexibility, mitigation of auto-ignition (AI) inside gas turbine (GT) premixers becomes crucial. They must be designed to yield a sufficiently homogeneous fuel-air mixture to achieve low emissions while at the same time avoiding the occurrence of AI and subsequent flame stabilization. This challenge requires a detailed understanding of turbulent mixing and chemistry interactions. In the present work, a direct numerical simulation (DNS) of an array of jets in crossflow (JICF), representative of an industrial GT premixer, is reported to shed light on these complex phenomena. It is found that AI kernels form in the aft part of the premixer and coalesce into a flame front that then propagates upstream, mainly through the boundary layer, and successively engulfs the jets. This, therefore, suggests a significant role of the jet array pattern on the flame stabilization. It is noted that AI kernels continue to form independently during the whole time of the simulation. To clarify the contribution of AI and diffusion in the ignition kernels and the main flame, chemical explosive mode analysis (CEMA) is employed jointly with a kernel tracking algorithm. It is found that during the initial formation of the flame, many ignition kernels form in mixtures with low scalar dissipation rate and large contribution from AI mode. As they quickly grow, they merge into a single flame front that becomes increasingly more diffusion-assisted over time, balancing the AI mode. Turbulence is shown to have a significant enhancing effect in lean premixed flames, but further analysis is required to fully characterize it. These findings are relevant for the industrial premixer studied, and also for novel micromix concepts that may be used in the next generation of GT combustion systems.

ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2020

Measurement of Convective Heat Transfer Coefficients With Supercritical CO 2 Using the Wilson-Plot Technique

This paper describes the measurement of convective heat transfer coefficients and friction factors for sCO 2 flowing in a smooth tube and compares the results with published correlations for validation. The paper also describes the Heat Exchange and Experimental Testing (HEET) rig recently designed and built at the U.S. Department of Energy’s (DoE’s) National Energy Technology Laboratory (NETL) in Morgantown, WV. Here, the Wilson-plot technique used for measuring the heat transfer coefficients is described along with the data reduction process. The Wilson-plot technique was chosen as the basis for the design of NETL’s HEET rig. Advantages of the Wilson-plot technique include the (1) ability to measure high convective heat transfer coefficients accurately, (2) ability to measure average heat transfer coefficient for complicated heat exchange geometries like those produced using additive manufacturing, (3) ability to measure heat transfer coefficients on both sides of a heat exchanger independently, and (4) simplicity of experimental setup. Capabilities of the HEET rig include pressure to 24 MPa (3500 psig), temperature to 538 °C (1000 °F), mass flow rate to 1.5 kg/s (3 lb/s), and Re to 500,000. The rig is designed to operate with pure CO 2 or a mixture of CO 2 and up to 10% N2 by volume to study the impact of gas mixtures typical of direct-fired sCO 2 power cycles on the convective heat transfer and pressure drop. Preliminary tests in the HEET rig were performed with smooth stainless-steel tube and pure CO 2 , and the results were compared with published correlations for Nusselt number (Nu) and friction factor. Over a Reynolds number (Re) range from 58,000 to 228,000, measured Nu was compared to predictions using the Dittus and Boelter equation (Kreith and Bohn, 1993, “Principles of Heat Transfer, West Publishing Company”) within 5% and measured friction factors were compared to predictions using the McAdams correlation (“McAdams, 1954, “Heat Transmission,” 3rd ed., McGraw Hill, New York)” for smooth tube to be within 5%.

42 ENGINEERING↗

NASA NTRS1991

Issues on the production and electrochemical separation of oxygen from carbon dioxide

There is considerable interest in in-situ propellant manufacturing on the moon and Mars. One of the concepts of oxygen production that is being actively pursued is the processing of atmospheric carbon dioxide on Mars to produce oxygen by means of thermal decomposition and electrochemical separation. The key component of such a production facility is the electrochemical separation cell that filters out the oxygen from the gas mixture of carbon dioxide, carbon monoxide, and oxygen. Efficient design of the separation cell and the selection of electrolyte and electrode materials of superior performance for the cell would translate to significant reduction in the power requirement and the mass of the production facility. The objective is to develop the technology required to produce the cells in-house and test various electrolyte and electrode materials systematically until the optimal combination is found. An effective technique was developed for the fabrication of disk shaped cells. Zirconia and Ceria cells were made in-house. Complete modules of the electrochemical cell and housings were designed, fabricated, and tested.

Kaloupis, P.↗

NASA NTRS1992

Long cycle life rechargeable lithium batteries

Cycle life and safety of delta-LiAl/TiS2 cells were evaluated using laboratory and AA-size cells. Analysis of the alloys (which contained 60, 70, 80, or 85 wt-pct. lithium and are designated 60 LiAl etc.) showed them to contain a mixture of elemental Li and Al4Li9. Cycling efficiencies correlated with the amount of free lithium in the anode. Using an electrolyte with the composition 48 v/o THF:48 v/o 2-MeTHF:4 v/o 2-MeF/LiAsF6(1.5M), a 70 LiAl/TiS2 laboratory cell yielded a cycling efficiency of 96.4 pct. when cycled at a 100 pct. discharge depth which compares well with Li anode cycling efficiencies of 96 to 97.5 pct. obtained previously in this electrolyte. The highest cycling efficiency of any delta-LiAl/TiS2 laboratory cell was 96.7 pct. when the 60 LiAl alloy was used with the 35 v/o PC:35 v/o EC:30 v/o triglyme/LiAsF6(1.0M) electrolyte. The 70 LiAl alloy was selected for further testing in AA cells since it was malleable for the fabrication of spirally wound electrodes, and its overall cycling performance was sufficiently good. AA-size 70 LiAl/TiS2 cells appear to have capacity/rate properties similar to those for identical Li/TiS2 cells. The use of the delta-LiAl alloy anodes does not appear to offer any safety advantage when cycled cells are shorted or heated.

Pasquariello, D. M.↗

NASA NTRS1999

X-Ray Fingerprinting Techniques for Recognizing A Hydrological Role in the Formation of Minerals on the Surface of Mars

Previous work has demonstrated the ability of a miniaturized XRD-XRF instrument to perform in-situ analyses without sample preparation or acquisition. Deployment of this instrument on a Martian rover will allow a large number of rapid qualitative analyses, which will maximize the diversity of samples studied and selected for possible return. As a first step in designing a decision tree for recognizing minerals in complex mixtures, d spacings were plotted against intensity for several mineral groups comprising rock and soil types inferred for the surface of Mars (weathered basalt, playa and hydrothermal deposits, clay-rich soils). In all groups, d spacings cluster in a range from about 1-4 angstroms, which can under certain circumstances obscure patterns for individual phases. However, within the silicate family, minerals containing either bound OH- or molecules of H20 (clays, micas, amphiboles, zeolites) are characterized by a shift of peaks to higher d spacings. Large d spacings (greater than about 7 angstroms) thus act as a first-order filter for distinguishing hydrous from anhydrous silicates. The ability to quickly verify the presence of silicates that have interacted with water has important implications for using mineral chemistry and structure to help decipher the hydrologic and atmospheric history of Mars. This represents a beginning for developing more sophisticated methods of pattern recognition. These will combine XRD and XRF analyses with optical data to rapidly7 discern environmentally diagnostic assemblages without the necessity of identifying every peak individual mineral phase.

Metzger, Ellen P.↗

NASA NTRS2005

Airborne Sunphotometer and Solar Spectral Flux Radiometer Measurements During INTEX/ITCT 2004

During the period 12 July - 8 August 2004, the NASA Ames 14-channel Airborne Tracking Sunphotometer (MTS-14) and Solar Spectral Flux Radiometer (SSFR) were operated aboard a Jetstream 31 (J31) aircraft and acquired measurements during nineteen science flights (approx. 53 flight hours) over the Gulf of Maine in support of the INTEX-NA (INtercontinental chemical Transport Experiment-North America) and ITCT (Intercontinental Transport and Chemical Transformation of anthropogenic pollution) field studies. In this paper, we will present results from analyses of those data sets. AATS-14 measures the direct solar beam transmission at fourteen discrete wavelengths (354-2138 nm), and provides instantaneous measurements of aerosol optical depth (AOD) spectra and water vapor column content, in addition to vertical profiles of aerosol extinction and water vapor density during suitable aircraft ascents and descents. SSFR consists of separate nadir and zenith viewing hemispheric FOV sensors that yield measurements of up- and downwelling solar irradiance at a spectral resolution of approx. 8-12 nm over the wavelength range 300-1700 nm. The objectives of the J31-based measurements during INTEX/ITCT were to provide AOD data for the evaluation of MODIS (MODerate-resolution Imaging Spectroradiometer) and MISR (Multi-angle Imaging Spectro-Radiometer) AOD retrievals, quantify sea surface spectral albedo (which can contribute the largest uncertainty to satellite aerosol retrievals for low aerosol loading), test closure (consistency) among suborbital results, test chemical-transport models using AOD profiles, and assess regional radiative forcing by combining satellite and suborbital results. Specific J31 flight patterns were designed to achieve these objectives, and they included a mixture of vertical profiles (spiral and ramped ascents and descents) and constant altitude horizontal transects at a variety of altitudes. Additional information is included in the original extended abstract.

Russell, P. B.↗

NASA NTRS1982

Can crop types be resolved using mixture distribution components - Some initial results and implications

For the analysis of remotely sensed data, it is frequently necessary to design a classifier in order to locate a ground cover class of interest or to estimate the proportion of this ground cover class. Advantages of a mixture distribution formulation are discussed, and a description is presented of the results of estimating the proportion of small grains in ten Landsat data segments using the mixture model. It is found that the mixture model proportion estimates have a very low variance and coefficient of variation. The discussed investigation implies that the mixtures model is a viable method for determining the distributions of classes of interest in remote sensing problems and in estimating the proportions of these classes directly.

Lennington, R. K.↗

DOE OSTI2021

Performance evaluation of a Terry GS-2 steam impulse turbine with air-water mixtures

Terry steam turbines are widely used in various industries because of their robust design. Within the nuclear power generation industry, they are used in the Reactor Core Isolation Cooling System to remove decay heat during reactor isolation events. During the Fukushima Daiichi nuclear power station disaster in Japan in 2011, the Reactor Core Isolation Cooling System and associated Terry turbine operated for over 70 hours in Unit 2; this runtime is well beyond the expected operating duration. Theories suggest the turbine was subjected to a two-phase inlet flow, which could degrade the turbine performance. In this work, an experimental test rig was constructed to test a full-scale Terry model GS-2 steam turbine under two-phase air/water flows. Steady-state efficiency and torque performance maps of the turbine were developed over a range of turbine inlet pressures (1.38–4.83 bar or 20–70 psia), air mass fractions (0.05–1.0) and rotational speeds up to 4000 RPM. Furthermore, turbine performance followed expected trends with torque varying linearly and efficiency varying quadratically with rotational speed. In addition, high-speed images of the two-phase flow entering the turbine were also analyzed to understand how changes in inlet pressure and air mass fraction affect the flow regime and homogenization. The present tests with air–water two-phase mixtures are an important step towards providing an understanding of the full-scale Terry turbine’s behavior and performance curves under two-phase conditions. The results of this work will be combined with air/water and steam/water data gathered using a small-scale Terry ZS-1 steam turbine in order to understand the scaling relationship between large and small size Terry turbines and fluid pairs. The combined data set will enable further development of analytical models over a wide range of conditions and may be used to provide technical justification for expanded use of the Terry turbines in nuclear power plant safety systems and other systems.

42 ENGINEERING↗

NASA NTRS1972

High Pressure Reverse Flow APS Engine

A design and test demonstration effort was undertaken to evaluate the concept of the reverse flow engine for the APS engine application. The 1500 lb (6672 N) thrust engine was designed to operate on gaseous hydrogen and gaseous oxygen propellants at a mixture ratio of 4 and to achieve the objective performance of 435 sec (4266 Nsec/kg) specific impulse. Superimposed durability requirements called for a million-cycle capability with 50 hours duration. The program was undertaken as a series of tasks including the initial preliminary design, design of critical test components and finally, the design and demonstration of an altitude engine which could be used interchangeably to examine operating parameters as well as to demonstrate the capability of the concept. The program results are reported with data to indicate that all of the program objectives were met or exceeded within the course of testing on the program. The analysis effort undertaken is also reported in detail and supplemented with test data in some cases where prior definitions could not be made. The results are contained of these analyses as well as the test results conducted throughout the course of the program. Finally, the test data and analytical results were combined to allow recommendations for a flight weight design. This preliminary design effort is also detailed.

Senneff, J. M.↗

DOE OSTI2021

Separating Miscible Liquid–Liquid Mixtures Using Supported Ionic Liquid Membranes

Supported liquid membranes (SLMs) are promising in separating miscible liquid–liquid mixtures, which has been a key challenge in wastewater treatment and other applications. However, SLMs suffer from poor durability due to the loss of the liquid phase. In current work, ionic liquids (ILs) with high stability have been impregnated into polyvinylidene fluoride membranes to separate miscible benzene–heptane mixtures. The two imidazolium-based ILs, that is, 1-butyl-3-methylimidazolium hexafluorophosphate ([BMIM][PF 6 ]) and 1-butyl-3-methylimidazolium tris(pentafluoroethyl) trifluorophosphate ([BMIM][FAP]), were tested in supported ionic liquid membranes (SILMs) for the benzene–heptane separation. Both ILs show successful separation within 48 h as indicated by nuclear magnetic resonance results. Compared to the SILM with [BMIM][FAP], the SILM with [BMIM][PF 6 ] has lower throughput and higher selectivity. The higher selectivity can be attributed to the higher hydrophilicity of [BMIM][PF 6 ], which results in strong repulsion against heptane. The lower throughput can be attributed to the higher hydrophilicity as well since it lowers the solubility of benzene in [BMIM][PF 6 ]. The stability of IL in SILMs has also been investigated via multiple separation cycles. The scanning electron microscopy, weight change of SILMs, and separation results indicate that the separation efficiency of the [BMIM][PF 6 ] SILM does not degrade for up to 144 h. The SILM has been further optimized with curvature design (i.e., curved SILM) to increase the interfacial area and thus increase the separation throughput, where the curved SILM separation device was 3D-printed. Here, the findings here have important implications on design and application of SILMs in separating miscible liquid–liquid mixtures.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

Enabling Entrained-Flow Gasification of Blends of Coal, Biomass and Plastics (Final Report)

This project demonstrated the technical feasibility of gasifying blends of coal, biomass and mixed waste plastics in a high pressure entrained-flow gasifier for production of hydrogen. This was achieved by creating slurries of coal, biomass pyrolysis liquids and liquefied plastic oil. Specific objectives of the project included (1) determining compositions of coal-biomass-plastic mixtures that produce a stable slurry suitable for pumping to high pressure, (2) designing and testing a novel burner to effectively atomize the mixed feedstock slurry in a pressurized gasifier, and (3) acquiring first-of-a-kind performance data for pressurized, oxygen-blown entrained-flow gasification of slurried blends of coal, biomass and plastic. A key focus of the project was preparation of mixtures of coal, biomass and plastic. To facilitate easy pumping to high pressure, slurries were created using (i) bioliquid resulting from a well-established rapid thermal treatment pyrolysis process, (ii) oil produced from waste plastic via an available thermal conversion process, and (iii) ground coal. Lab-scale tests were conducted to evaluate viscosity and stability/propensity for the mixtures to separate over time. Larger batches of the most promising slurry compositions were prepared and subjected to pumping studies. It was found that mixtures containing less than about 40% coal and less than about 30% plastic oil were stable and of low enough viscosity to facilitate pumping to high pressure. A high-performance hot oxygen burner (HOB) was designed and fabricated for use in an existing 1 ton/day pressurized entrained-flow gasifier. Ex-situ testing demonstrated that the HOB provides excellent atomization of the slurries and creates a very uniform and robust flame. Performance of the HOB in the gasifier was exceptional and resulted in better conversion to syngas than any previous generation of burner. Fabricating the HOB for this project was challenging due to the relatively small scale of the gasifier. Performance in larger-scale systems is expected to be even better. Gasification of mixtures of coal, bioliquid and plastic oil proved to be relatively easy. The gasifier was able to be started up, pressurized and transitioned to the blended slurry feedstock with no technical difficulty. Syngas rich in CO and H 2 , with relatively low concentrations of CO 2 , was produced. During startup and at low gasification temperatures, soot formation was observed, as is typical for gasification of petroleum-based feedstocks. No slag buildup was observed under the conditions tested. The project was successful in demonstrating the technical feasibility of the concept. Future development should broaden the range of feedstocks under consideration, more deeply explore performance of the gasifier, and evaluate scale-up and implementation strategies.

08 HYDROGEN↗

DOE OSTI2020

toughio v1.2.2

TOUGH is a widely used general purpose numerical simulator designed for fluid and heat flows of multiphase, multicomponent fluid mixtures in porous and fractured media, which has been applied to many real-world problems such as underground geological storage, geothermal reservoir engineering or nuclear waste disposal, to name a few. `toughio` is a lightweight, object-oriented and vectorized Python library that aims to provide user-friendly routines to facilitate pre- and post-processing of a TOUGH simulation. Although its primary target is the latest version TOUGH3, `toughio` can also be used to read/write TOUGH2 input/output files. Currently, to the best of our knowledge, only PyTOUGH offers an exhaustive number of features to carry out a complete TOUGH simulation using a scripting language. `toughio` and PyTOUGH share the same objectives, yet with different approaches and philosophies. On the one hand, a PyTOUGH mesh is represented as a MULGRAPH geometry where elements can be unstructured horizontally but only layered vertically. It also checks that the model parameters are valid to ensure that a TOUGH simulation runs smoothly. On the other hand, although it provides basic meshing features, `toughio` mostly relies on common third-party softwares (e.g. Abaqus, FLAC3D, Gmsh, LaGriT) to generate the mesh by importing and converting it to a TOUGH mesh, which also conveniently facilitates the coupling of TOUGH with any other simulator that also supports the same mesh formats. Besides, `toughio` is designed to be just a TOUGH input and output file reader/writer. It assumes that the user knows what he is doing and does not verify the validity of the model parameters (`toughio` does verify the functional arguments).

Luu, Keurfon↗