Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “CO2 sequestration”

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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

A robust deep learning workflow to predict multiphase flow behavior during geological C O 2 sequestration injection and Post-Injection periods

Simulation of multiphase flow in porous media is essential to manage the geologic CO 2 sequestration (GCS) process, and physics-based simulation approaches usually take prohibitively high computational cost due to the nonlinearity of the coupled physics. This paper contributes to the development and evaluation of a deep learning workflow that accurately and efficiently predicts the temporal-spatial evolution of pressure and CO 2 plumes during injection and post-injection periods of GCS operations. Based on a Fourier Neural Operator, the deep learning workflow takes input variables or features including rock properties, well operational controls and time steps, and predicts the state variables of pressure and CO 2 saturation. To further improve the predictive fidelity, separate deep learning models are trained for CO 2 injection and post-injection periods due to the difference in primary driving force of fluid flow and transport during these two phases. We also explore different combinations of features to predict the state variables. We use a realistic example of CO 2 injection and storage in a 3D heterogeneous saline aquifer, and apply the deep learning workflow that is trained from physics-based simulation data and emulate the physics process. Through this numerical experiment, we demonstrate that using two separate deep learning models to distinguish post-injection from injection period generates the most accurate prediction of pressure, and a single deep learning model of the whole GCS process including the cumulative injection volume of CO 2 as a deep learning feature, leads to the most accurate prediction of CO 2 saturation. For the post-injection period, it is key to use cumulative CO 2 injection volume to inform the deep learning models about the total carbon storage when predicting either pressure or saturation. The deep learning workflow not only provides high predictive fidelity across temporal and spatial scales, but also offers a speedup of 250 times compared to full physics reservoir simulation, and thus will be a significant predictive tool for engineers to manage the long-term process of GCS.

58 GEOSCIENCES↗
DOE OSTI2021

Machine learning to discover mineral trapping signatures due to CO 2 injection

Mineral trapping is pursued as a geological CO 2 sequestration (GCS) mechanism because it permanently stores CO 2 in solid phases or minerals. However, CO 2 mineral-trapping mechanisms are poorly understood due to (1) lack of sufficient field and laboratory data characterizing these complex processes, and (2) challenges to develop site-specific reactive-transport models coupling fluid flow and geochemical reactions occurring at various temporal (from milliseconds to years) and spatial (from pore (millimeters) to field (kilometers)) scales. Reactive transport with additional complexities such as heterogeneity can make the simulation outputs even more difficult to interpret because of complex nonlinearity and multi-scale interdependencies. Furthermore, the values of model outputs such as concentrations can vary by several orders of magnitude, making it harder to correlate and characterize the impact of the variables via traditional data interpretation techniques such as exploratory data analyses. Recently, machine learning (ML) has shown promise in feature discovery and in highlighting hidden mechanisms that cannot be obtained by existing data-analytics and statistical methods. In this study, we applied an unsupervised ML approach, non-negative matrix factorization with custom -means clustering (NMF) to the data generated by reactive-transport simulations of GCS. The reactive-transport data consisted of 19 attributes, including four physio-chemical variables (pH, porosity, aqueous CO 2 , and sequestered CO 2 ), six chemical species (K + , Na + , HCO, Ca 2+ , Mg 2+ , Fe 2+ ), and four carbonate minerals (calcite, dolomite, siderite, and ankerite), a feldspar mineral (albite), and four clay minerals (illite, clinochlore, kaolinite, and smectite) over a period of 200 years of simulation time. Furthermore, the simulation data used was for Morrow B sandstone at the Farnsworth hydrocarbon unit in Texas. Data are sampled at two locations within the model domain: (1) at the injection well and (2) 200 m west of the injection well. The injection was performed for a period of 10 years. Using NMF, we estimated the temporal interdependencies among the 19 attributes over a span of 200 years. We found that NMF was able to identify four reaction stages and their dominant attributes; these cannot be directly discerned through traditional visualization (e.g., line plots, Pareto analysis, Glyph-based visualization methods) or exploratory data analysis tools of the simulation data. The four stages were: reactions in the injection phase followed by short-, mid-, and long-term reactions. The NMF analysis also revealed that 10 among the 19 attributes are dominant. These dominant attributes for mineral trapping include calcite, dolomite at injection well, siderite at 200 m away from the injection well, clinochlore, kaolinite, Na + , K + , Ca 2+ , Mg 2+ , pH, and aqeuous CO 2 . Finally, at late times (65–200 years), our results showed that calcite plays a major role in mineral trapping with insignificant contribution from siderite, ankerite, and clay minerals. These findings make the proposed unsupervised ML-model attractive for reactive-transport sensing towards real-time GCS monitoring.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Simulation study of chemo-mechanical impacts of CO 2 injection in morrow b sandstone reservoir

Here, this study investigates the impacts of geomechanical and geochemical changes on carbon storage in a partially depleted oil reservoir, using results from four different coupled simulation models. Models were used to examine the relative importance of storage mechanisms, and how changing reservoir parameters might affect these mechanisms through time. The study uses data from a Morrowan sandstone reservoir in the Farnsworth Unit (FWU), Ochiltree County, Texas which is currently undergoing CO 2 enhanced oil recovery (EOR). Partially depleted oil reservoirs such as the FWU offer attractive carbon utilization and/or storage targets because of existing infrastructure and economic benefits from incremental oil recovery as well as tax credits. However, prediction of storage capacity or long-term fluid migration in these fields can be difficult because of the wide variation in formation fluids and operational histories that may have undergone. CO 2 injection can cause complex geomechanical and geochemical responses in a reservoir as a result of interplay between dynamic changes in pore pressure, reservoir temperature, fluid composition, and interactions between formation fluids, CO 2 , and reservoir rock. Thus, multiple coupled numerical simulation models must be developed and used to more precisely understand what CO 2 storage mechanisms are most significant, as well as the long-term fate of the stored CO 2 . Our study used results from hydrodynamic, coupled hydro-geomechanical, coupled hydro-geochemical, and coupled hydro-geomechanical-geochemical models to examine how changes in geomechanical and geochemical properties can impact the injectivity or storage capacity of CO 2 . Models simulated historical field operations and then forward-modeled a water-alternate-gas (WAG) operation for 20 years, followed by a 1000-year post-injection monitoring. The work demonstrates that in this specific reservoir, geomechanical impacts appear to be more significant than any geochemical processes, which showed minimal impact on reservoir properties. Furthermore, these simulation scenarios corroborated other studies showing more than 90% of CO 2 injected are being stored and will remain stored in the reservoir. The study was able to draw on a rich set of data from this currently operational project for the work. Because the Morrow is a widespread oil-bearing reservoir in the midcontinent of the United States and is fairly typical of many sandstone reservoirs elsewhere, the study has significance beyond the boundaries of our field area.

58 GEOSCIENCES↗
DOE OSTI2022

Role of heterogeneous surface wettability on dynamic immiscible displacement, capillary pressure, and relative permeability in a CO 2 -water-rock system

Numerical examination of CO 2 displacement in brine filled rock pores with varying wettability. Results show that as the CO 2 contact angles on the rock surface increased (intermediate water wetting conditions) negative entry pressures for CO 2 displacement were observed, indicating that when heterogeneous surface wettability is accounted for, greater mobility of CO 2 into rock pores is expected. In addition, simulated relative permeability CO 2 curves with heterogeneous intermediate water wetting conditions exhibited a greater amount of variation, indicative of a complex interrelation of geometric capillary restrictions and surface wettability.

58 GEOSCIENCES↗
DOE OSTI2022

A hierarchical stochastic modeling approach for representing point bar geometries and petrophysical property variations

The flow of fluids in point bars is affected by the existence of heterogeneities like shale drapes that are found on the surfaces of inclined heterolithic stratifications. In fact, these shale drapes can act as fluid flow baffles; therefore, developing a framework for modeling point bars and their associated heterogeneities is vital. In this study, a stochastic process-based modeling approach is presented for capturing the main point bar heterogeneities: accretion surfaces (i.e., the aerial heterogeneity) and inclined heterolithic stratifications (i.e., the vertical heterogeneity). The former was modeled using a sine-generation function and the latter, with a sigmoidal function after which they were combined into a 3D point bar model. To ensure proper modeling of petrophysical properties, we developed a more representative gridding scheme which generates curvilinear grids representative of the point bar geometry. This grid was then transformed into a rectilinear grid to allow for geostatistical simulation after which all petrophysical properties were mapped back into the original curvilinear grid. An essential element of this modeling approach is the stochastic representation of shale drapes at the interface between successive accretion surfaces. The workflow was tested using a real field dataset for the Cranfield field, Mississippi. The constructed model was then subjected to a flow simulation study mimicking a CO 2 storage scenario. Various sensitivities were simulated to evaluate the effect of heterogeneities on CO 2 flow within the point-bar. Results demonstrate the importance of representing point-bar related heterogeneity and the spatial distribution of shale drapes on CO 2 plume migration and storage.

58 GEOSCIENCES↗
DOE OSTI2023

Prospects for engineering Ralstonia eutropha and Zymomonas mobilis for the autotrophic production of 2,3-butanediol from CO 2 and H 2

The decarbonization of the chemical industry and a shift toward circular economies because of high global CO 2 emissions make CO 2 an attractive feedstock for manufacturing chemicals. Moreover, H 2 is a low-cost and carbon-free reductant because technologies such as solar-driven electrolysis and supercritical water (scH 2 O) gasification enable sustainable production of molecular hydrogen (H 2 ). We review the recent advances in engineering Ralstonia eutropha, the representative species of "Knallgas" bacteria, for utilizing CO 2 and H 2 to autotrophically produce 2,3-butanediol (2,3-BDO). This assessment is focused on state-of-the-art approaches for splitting H 2 to supply energy in the form of ATP and NADH to power cellular reactions and employing the Calvin-Benson-Bassham cycle for CO 2 fixation. Major challenges and opportunities for application and future perspectives are discussed in the context of developing other promising CO 2 and H 2 -utilizing microorganisms, exemplified by Zymomonas mobilis.

42 ENGINEERING↗
DOE OSTI2022

Simulated CO 2 storage efficiency factors for saline formations of various lithologies and depositional environments using new experimental relative permeability data

Saline formations are attractive geologic reservoirs for permanent carbon dioxide (CO 2 ) storage. Here, the U.S. Department of Energy's National Energy Technology Laboratory (DOE-NETL) has worked to develop and refine methods and tools for the calculation of CO 2 storage potential in subsurface reservoirs. DOE-NETL's CO 2 -SCREEN provides an online tool for executing these storage methods. CO 2 storage efficiency terms are input parameters in DOE-NETL's methods and equations embedded in the CO 2 -SCREEN, which assesses pore space available for CO 2 storage. In this work, a modeling workflow was initiated to refine two CO 2 storage efficiency terms - volumetric displacement (E V ) and microscopic displacement (E d ). The models are based on new experimental relative permeability data that are specific to homogenous lithology and depositional environments of key subsurface saline formations targeted for CO 2 storage. In future work, heterogenous features will be added to this initial modeling effort to update efficiency factors as described in DOE-NETL's methods and CO 2 -SCREEN tool. E V accounts for the volume utilized in the reservoir under the areal plume, while E d accounts for saturation values in the plume to assess efficiency of CO 2 storage at the pore scale. The results of this work are significant in that prior values were based on a limited geologically non-specific relative permeability data set that were collected prior to 2009. Specifically, we applied numerical simulations using TOUGH3 models to update CO 2 storage efficiency values for supercritical CO 2 injection into brine-saturated reservoirs for three lithologies (clastics, limestone, dolomite) and six depositional environments (Marginal Marine, Strand Plain, Deltaic Complex Fluvial, Aeolian, Shallow Marine, and Reef) that have a high potential for geologic CO 2 storage. Experimental relative permeability data in cores from these environments were utilized in the models with corresponding rock type/sedimentary environment. Results of this study showed that dolomite followed by limestone generated higher ranges of storage efficiency compared to clastics. The updated values provided a tighter efficiency range for clastics, lower P 10 but higher P 90 range for limestone, and higher P 10 and P 90 for dolomite. In general, tighter reservoirs with relatively low permeability and porosity were associated with higher E V and E d , showing efficient reservoir and pore utilization in these scenarios. High reservoir pressure and temperature associated with increasing depth increased the E V , and high CO 2 injection rates resulted in increases in E V and E d , while the impact of permeability anisotropy was minimal after the 30-year injection period.

03 NATURAL GAS↗
DOE OSTI2023

Development of sustainable low carbon Engineered Cementitious Composites with waste polyethylene fiber, sisal fiber and carbonation curing

Engineered cementitious composites (ECC) is an advanced fiber-reinforced cementitious composite with high tensile ductility. However, the binder and fiber system in ECC incur high economic and environmental cost. In this study, a low carbon ECC was developed by substituting virgin polyethylene fiber with waste polyethylene fiber (WPE) from waste marine fishing nets. Carbonation curing was applied to further reduce embodied carbon footprint via direct CO 2 mineralization. This research examined the low carbon ECC’s mechanical properties, including compressive strength and tensile strength and ductility. The CO 2 footprint and material costs of ECC were also investigated. The objective was to develop an ECC competitive to normal concrete economically and environmentally while maintain the unique ductile performance of ECC. Results suggest that carbonation-cured WPE reinforced ECC possesses 50% of the CO 2 footprint and 37% of the cost of traditional concrete. Meanwhile, this low carbon ECC maintains at least 4 MPa tensile strength and 6% tensile ductility. This research demonstrates the feasibility of developing construction materials with low environmental impact while maintaining high performance for civil infrastructure applications. As a result, the adoption of WPE in ECC provides a plausible pathway to recycle marine waste into the construction industry that urgently needs to be decarbonized.

42 ENGINEERING↗
DOE OSTI2023

Effect of Formation Heterogeneity on CO 2 Dissolution in Subsurface Porous Media

Dissolution trapping is one of the most dominant mechanisms for the secure storage of CO 2 injected in porous subsurface formations saturated with brine. This trapping mechanism is enhanced by convective mixing, which occurs due to the gravitational instability between the different fluid layers in the aquifer. The reservoir permeability also plays a crucial role in the dissolution rate and overall fluid flow dynamics during the density-driven convection in porous media. Herein this study investigates the role of complex heterogeneity, i.e., irregular permeability distribution in CO 2 dissolution, using a novel experimental approach to create medium permeability heterogeneity in Hele–Shaw cells. Complex subsurface transport phenomena such as a preferential dissolution path, CO 2 sweep efficiency, changes in finger morphology, and CO 2 concentration distribution are visualized by creating heterogeneous media. Experimental results showed that reservoir permeability heterogeneity causes significant channeling effects and poor sweep efficiency. A scaling relationship between average finger growth rate (Gr) and permeability (k) was obtained as Gr [m s –1 ] = 266.8k [m 2 ] + 1.20 × 10 –6 . Furthermore, the mass of CO 2 dissolved is calculated using the spectrophotometric method to characterize the convective instability. The convective flux was analyzed by comparing the experimental dissolution flux with the theoretical diffusion flux, calculating a maximum Sherwood number of 6.8. The study’s findings improve the current understanding of the CO 2 convection morphology in heterogeneous media, allowing better assessment of long-term CO 2 storage.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Circumventing thermodynamic limitations in converting carbon dioxide into carbon nanotubes via tandem catalysis

Carbon nanotubes (CNTs) are important materials for electronics and structural composites, but their production still relies on hydrocarbon-based chemical vapor deposition, an energy-intensive and fossil-dependent process, limited by rapid catalyst deactivation. Using CO2 as a carbon feedstock offers a sustainable route for CNT synthesis, yet direct CO2 conversion to CNTs is thermodynamically unfavorable and existing CO2-to-carbon pathways mainly yield amorphous or weakly graphitized solids. Here, we demonstrate a tandem electrochemical–thermochemical (EC-TC) strategy that overcomes these limitations. CO2 is first electrochemically reduced to a tunable mixture of C2H4 and CO, which is directly fed into a thermochemical reactor and converted into CNTs with controllable morphology and high CNT-to-metal mass ratios (~200) over NiFe catalysts at 750 °C. In situ synchrotron-based characterization and density functional theory calculations reveal that CO dissociation and C2H4 decomposition on NiFe alloys cooperatively promote CNT nucleation and sustained growth. This EC-TC strategy establishes a modular route for converting CO2 into value-added carbon nanomaterials.

03 NATURAL GAS↗
DOE OSTI2023

Osmotic Pressure Gradient Effects on Water Diffusion in Porous Rock: Can They Pervert Permeability Tests?

Abstract Generation of a large network of hydraulic cracks is of key importance not only for the success of fracking of shale but also for the recent scheme of sequestration of CO2 in deep formations of basalt and peridotite, which are mafic and ultramafic rocks that combine chemically with CO2. In numerical simulation of the creation of a fracture network in porous rock, an important goal is to enhance the rock permeability. The objective of this article is to calculate the effect of osmotic pressure gradients caused by gradients of concentration of the ions of Ca, Mg, Na, etc. on the effective permeability of the rock. The basic differential equations are formulated, and their explicit solutions for appropriate initial and boundary conditions are obtained under certain plausible simplifications. The main result is explicit approximate formulas for the critical time before which no water permeation through a test specimen can be observed. Depending on various parameters, this time can be unacceptably long, which is manifested as a zero water outflow. The solution may also explain the unreasonably small permeability values reported for some shales.

Mechanics↗
DOE OSTI2022

T2Well/EOS7NC (EOS7NC) v1.0Beta

T2Well/EOS7NC extends TOUGH2/EOS7C to include the choice of any three of a variety of non-condensable gas components and adds the coupled well-reservoir capability of T2Well. T2Well/EOS7NC is applicable to geologic carbon sequestration, CO2-enhanced gas recovery, compressed air energy storage, geologic hydrogen storage, and other subsurface porous-media injection/withdrawal processes involving non-condensable gases. The advantage of T2Well/EOS7NC over TOUGH2/EOS7C is that TOUGH2/EOS7C is restricted to modeling CO2 or N2, a gas tracer, and CH4 whereas T2Well/EOS7NC can model and three non-condensable gas components chosen from a long list within the code. In addition, T2Well provides the coupled well-reservoir capability.

Oldenburg, Curtis↗
DOE OSTI2024

Mt. Simon Sandstone - High Resolution CT

High resolution micro-computed tomography images of sandstone from the Mt. Simon formation at different depths. These images provide an insight into the pore structure of the Mt. Simon sandstone (e.g. for potential CO2 storage). This data set can be used to further study the formation as a whole..

CCS,CO2 Sequestration,Carbon Sequestration,Compute↗
DOE OSTI2024

Editorial: Advanced in situ characterization of biological interfaces and materials

Rapid changes are occurring on this dynamic planet–in 2020 anthropogenic mass was reported to not only match but exceed the mass of natural origins (Elhacham et al., 2020). These indications do not bold well for humanity in the coming generations, as we face 2 degree overall temperature increases over the next 5 years, CO 2 is spewing into the atmosphere at the Gigatonne (Gt) rate per year without any signs of mitigation in the foreseeable future, ocean water levels are rising to incredible levels, drinking water availability is disappearing, humanity is heavily reliant on the “drill-and-fill” culture, and two wars are currently being fought in Gaza and Ukraine (Carr et al., 2024). And even with these pressures, humanity continues to eke out impressive scientific and technological achievements in the recent past including mRNA vaccines to counter a global pandemic (Hogan and Pardi, 2022) and the development of CRISPR-Cas9 drugs (Parums, 2024). All these developments are only possible from the incremental methodological improvements taking place presently.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Reaction Temperature Manipulation as a Process Intensification Approach for CO 2 Absorption

Reactor temperature manipulation to increase product yields of chemical reactions is a known technique used in many industrial processes. In the case of exothermic chemical reactions, the well-known Le Chatelier’s principle predicts that a decrease in temperature will displace the chemical reaction toward the formation of products by increasing the value of the equilibrium constant. The reverse is true for endothermic reactions. Reactor temperature manipulation in an industrial system, however, affects the values of many variables, including physical properties, transport parameters, reaction kinetic parameters, etc. In the case of reactive absorption, some variables change with increasing temperatures due to solute absorption, while others change in such a way that the solute absorption rate decreases. For example, temperature drop increases product formation for exothermic reactions but reduces the value of transport parameters, leading to decreasing interfacial concentrations and absorption rates. Therefore, temperature manipulation strategies must be designed carefully to achieve the process goals. In this work, we theoretically study the use of temperature as a tool to increase CO 2 absorption by solvents in a semi-batch reactor. A computer code has been developed and validated using reported experimental data. Calculated results demonstrate an increase in absorbed CO 2 of more than 28% with respect to the highest temperature used. Despite high agitation and high gas flow rate, the system is mass transfer controlled at short times, becoming kinetically controlled as time increases. An operating strategy to decrease cooling energy costs is also proposed. This study reveals that reactor temperature manipulation can be an effective process to improve CO 2 absorption by solvents in two-phase semi-batch reactors.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗