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At least 559 records · Page 31

Producing Greener (Lower Carbon) Oil Through CO 2 -Enhanced Oil Recovery (CO 2 -EOR)

Conference presentation at at 22nd European IOR+ Symposium, The Hague, Netherlands, October 2–4, 2023. This study explored the sensitivity of the net life cycle greenhouse gas (GHG) emissions of a CO 2 -enhanced oil recovery (CO 2 -EOR) system to three critical input parameters: i) CO 2 capture efficiency (70%, 80%, 90%, and 95%), ii) electricity grid mix emission factor (400, 500, 600, and 700 kgCO 2 e/MWh), and iii) net CO 2 utilization rate (315, 421, 526, 789, and 1052 kgCO 2 /bbl [6, 8, 10, 15, and 20 Mcf/bbl]).

01 COAL, LIGNITE, AND PEAT↗

TCCSP Project Implementation Plan

The TCCSP CarbonSAFE Phase II efforts focused on developing the technical, community, and economic foundation for a commercial-scale regional geologic storage complex for CO 2 captured. TCCSP has conducted a thorough evaluation of the regional, local, and site-specific geology, legacy well infrastructure, injection site design, and project planning as part of the CarbonSAFE Phase II TCCSP. Specially, the work performed under the CarbonSAFE Phase II has significantly furthered the advancement towards the commerciality of the TCCSP storage complex by delivering on the following objectives: Objective 1: Acquire site-specific characterization data to validate carbon dioxide (CO 2 ) storage estimates of reservoir units and the competency of confining layers in the region to prevent CO 2 leakage to develop a commercial-scale CO 2 project. Objective 2: Assess technical, economic, regulatory, and stakeholder aspects of the TCCSP.

54 ENVIRONMENTAL SCIENCES↗

Engineered living materials for capture, conversion, and recycling technologies

Continued dependence on crude oil and natural gas resources for fossil fuels has caused global atmospheric carbon dioxide (CO 2 ) emissions to increase to record-setting proportions. There is an urgent need for efficient and inexpensive carbon sequestration systems to mitigate large-scale CO 2 emissions from industrial flue gas. Carbonic anhydrase (CA) has shown high potential for enhanced CO 2 capture applications compared to conventional absorption-based methods currently utilized in various industrial settings. This study aims to understand structural aspects that contribute to the stability of CA enzymes critical for their applications in industrial processes, which require the ability to withstand conditions different from their native environments. Here, we evaluated the thermostability and enzyme activity of mesophilic and thermophilic CA variants at different temperature conditions and in the presence of atmospheric gas pollutants like nitrogen oxides (NO x ) and sulphur oxides (SO x ). Based on our enzyme activity assays and molecular dynamics simulations, we see increased conformational stability and CA activity levels in thermostable CA variants incubated week-long at different temperature conditions. The thermostable CA variants also retained high levels of CA activity despite changes in solution pH due to increasing NO x and SO x concentrations. Furthermore, a loss of CA activity was observed only at high concentrations of NO x /SO x that possibly can be minimized with appropriate buffered solutions.

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The influence of random packed column parameters on the liquid holdup and interfacial area

Abstract Carbon dioxide capture via solvent absorption in packed columns has emerged as a potential technology to mitigate coal‐fired power plant CO 2 emissions. Parameters, including packing types, solvent properties, and operating conditions, could potentially affect the packed column CO 2 capture efficiency. To understand the importance of those parameters and help packed column optimization, a design of experiments (DoEs) method was proposed to generate input parameter matrix. Combined with multiphase computational fluid dynamics (CFD), the random packed column parameter influence on the liquid holdup and interfacial area can be efficiently investigated. Surrogate‐based sensitivity analysis shows that the solvent flow rate and contact angle are key factors dictating liquid holdup and interfacial area. On the other hand, solvent viscosity has a marginal impact on the interfacial area. The sensitivity scores were calculated for each input parameter to guide the selection of dimensionless numbers for the liquid holdup and interfacial area correlation development.

42 ENGINEERING↗

Understanding the Impacts of Support–Polymer Interactions on the Dynamics of Poly(ethyleneimine) Confined in Mesoporous SBA-15

Supported amines are a promising class of CO 2 sorbents offering large uptake capacities and fast uptake rates. Additionally, among supported amines, poly(ethyleneimine) (PEI) physically impregnated in the mesopores of SBA-15 silica is widely used. Within these composite materials, the chain dynamics and morphologies of PEI strongly influence the CO 2 capture performance, yet little is known about chain and macromolecule mobility in confined pores. Here, we probe the impact of the support–PEI interactions on the dynamics and structures of PEI at the support interface and the corresponding impact on CO 2 uptake performance, which yields critical structure–property relationships. The pore walls of the support are grafted with organosilanes with different chemical end groups to differentiate interaction modes (spanning from strong attraction to repulsion) between the pore surface and PEI. Combinations of techniques, such as quasi-elastic neutron scattering (QENS), 1 H T 1 –T 2 relaxation correlation solid-state NMR, and molecular dynamics (MD) simulations, are used to comprehensively assess the physical properties of confined PEI. We hypothesized that PEI would have faster dynamics when subjected to less attractive or repulsive interactions. However, we discover that complex interfacial interactions resulted in complex structure–property relationships. Indeed, both the chain conformation of the surface-grafted chains and of the PEI around the surface influenced the chain mobility and CO 2 uptake performance. By coupling knowledge of the dynamics and distributions of PEI with CO 2 sorption performance and other characteristics, we determine that the macroscopic structures of the hybrid materials dictate the first rapid CO 2 uptake, and the rate of CO 2 sorption during the subsequent gradual uptake stage is determined by PEI chain motions that promote diffusive jumps of CO 2 through PEI-packed domains.

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Demonstration and Validation of Additively Manufactured Intensified Device for Enhanced Carbon Capture

In FY 2018 and 2019, ORNL personnel designed, prototyped, characterized, and tested the enhancement of amine-based carbon capture using additively manufactured intensified devices, i.e., devices combining multiple thermodynamic and kinetic processes into one unit operation. State of the art scrubbing technology often employs inter-stage cooling which requires multiple stages of single-purpose unit operations, leading to larger equipment size, higher capital cost, and sometimes less than optimal operating conditions for each piece of equipment. It was proposed that integrating multiple thermodynamic and kinetic operations into one unit could mitigate or negate these drawbacks. Heat and mass transfer studies demonstrated that an additively manufactured intensified device could significantly improve capture efficiency at bench scale. This project is a continuation of FEAA130 and aims at (1) demonstration and validation of enhanced CO 2 capture with 3D printed intensified devices (i.e., mass exchanger packing with internal cooling channels), for low-aqueous-solvent (LAS) based capture at the ORNL-constructed laboratory-scale (4.5-feet tall) column, namely Column A, with built-in cooling and (2) computational scoping on the conceptual design of a flexible and modular larger column, namely Column B, at ORNL for further demonstration of enhanced capture for aqueous solvent. To execute this multi-faceted project scope, an integrated project team from ORNL’s Manufacturing Science Division is tasked with applying capabilities in computational fluid dynamics (CFD), additive manufacturing, and absorber-scale demonstration/validation experiments.

42 ENGINEERING↗

Physical and Chemical Responses of Amidine-Containing Polymers in the Capture and Release of CO 2

Polymeric materials containing amidine motifs are of high interest due to their ability to reversibly capture and release CO 2 at ambient temperature. Here, in this study, we probe physical and chemical responses of styrene-based copolymers containing linear amidine motifs as functions of CO 2 and inert gas exposures and temperature. A copper-catalyzed azide–alkyne cycloaddition “click” reaction involving N′-propargyl-N,N-dimethylacetamidine is used to modify random copolymers, resulting in an array of linear amidine motifs along the chain backbone with the amount of CO 2 -active amidine controlled by the copolymer composition. Through thermogravimetric measurements, we demonstrate that the amidine-functionalized copolymers efficiently capture CO 2 upon exposure to a stream of CO 2 (at 27 °C) and release it at a slightly elevated temperature (50 °C) when exposed to an inert gas stream (N 2 ). In addition to displaying a maximum adsorption capacity of 22 wt % in the presence of pure CO 2 , the copolymers show composition-dependent direct air capture (DAC) behaviors. Small molecule analogs are used to definitively understand degradation via chemical hydrolysis of the amidine moiety, which leads to insolubility and a large reduction in CO 2 adsorption capacity (1.7 wt %). Neutron vibrational spectroscopy and DFT calculations confirm that CO 2 binds strongly to the amidine motif, inducing a strong bending of the CO 2 molecule from its linear geometry. The coupled insights into mechanisms and behaviors of CO 2 adsorption in amidine-functionalized polymers provides a foundation for future investigations of CO 2 -responsive polymers and soft materials to improve carbon capture and sequestration technologies.

Chun, Danielle J.↗

In-house synthesized poly(ether ether ketone) ionenes. I. ToF-SIMS spectra in the positive ion mode

Static time-of-flight secondary ion mass spectrometry (ToF-SIMS) was performed for acquiring the high-resolution surface spectra of four types of synthesized imidazolium ionene membranes. These novel membranes have aromatic ether–ketone–ether linkages inspired by poly(ether ether ketone) (PEEK). The PEEK-ionenes synthesized for this study have imidazolium cations placed in the polymeric backbone with bistriflimide [Tf 2 N]- counterions. The attention given to synthetically modified PEEK derivatives, such as PEEK-ionenes, is considerable due to their ability to selectively capture CO 2 molecules and other light gases. Therefore, it is important to characterize the surface of these synthesized novel PEEK-ionenes. In this work, characteristic and unique peaks were identified in the positive spectra of each sample. The differences in mass spectra among the samples provide insights for optimizing or fine-tuning the PEEK-ionenes synthesis to achieve a high-performance CO 2 separation membrane with enhanced permeability, selectivity, and mechanical stability. The SIMS spectra and identified characteristic peaks of these synthesized ionenes will serve as a reference in the positive mode, complementing the corresponding spectra reported in the negative ion mode (Paper II).

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Spectroscopic Identification of Carbamate Formation and Synergistic Binding in Amide–CO$^{–}_{2}$ Complexes

Carbamate formation is an elementary step that governs nitrogencentered nucleophilic CO 2 capture across diverse environments, yet a direct, structure-specific understanding has been lacking. Here, we report the first gas-phase characterization of closed-shell carbamate formation by deprotonated amides, using cryogenic ion trap vibrational spectroscopy combined with quantum chemical calculations. Reactions of deprotonated benzamide and isophthalamide anions with CO 2 form carbamate species, with the amide nitrogen serving as the nucleophilic site. Diagnostic, strongly red-shifted antisymmetric CO 2 stretching vibrational bands, supported by a bonding analysis, establish chemisorption with substantial charge transfer. In the multiamide system, an intramolecular N−H···O hydrogen bond provides synergistic stabilization, correlating with larger red shifts and more exothermic binding. These structure-assigned benchmarks provide molecular-level insights into the binding motif, charge redistribution, and hydrogen bond-mediated stabilization of amide carbamates, which aid the characterization of carbamate formation in condensed phase.

Amides↗

Heterologous expression of formate dehydrogenase enables photoformatotrophy in the emerging model microalga, Picochlorum renovo

Rising global greenhouse gas emissions and the impacts of resultant climate change necessitate development and deployment of carbon capture and conversion technologies. Amongst the myriad of bio-based conversion approaches under evaluation, a formate bio-economy has recently been proposed, wherein CO 2 -derived formate serves as a substrate for concurrent carbon and energy delivery to microbial systems. To date, this approach has been explored in chemolithotrophic and heterotrophic organisms via native or engineered formatotrophy. However, utilization of this concept in phototrophic organisms has yet to be reported. Herein, we have taken the first steps to establish formate utilization in Picochlorum renovo, a recently characterized eukaryotic microalga with facile genetic tools and promising applied biotechnology traits. Plastidial heterologous expression of a formate dehydrogenase (FDH) enabled P. renovo growth on formate as a carbon and energy source. Further, FDH expression enhanced cultivation capacity on ambient CO 2 , underscoring the potential for bypass of conventional CO 2 capture and concentration limitations. This work establishes a photoformatotrophic cultivation regime that leverages light energy-driven formate utilization. The resultant photosynthetic formate platform has widespread implications for applied phototrophic cultivation systems and the bio-economy at large.

09 BIOMASS FUELS↗

Integrated Capture and Conversion of CO 2 to Methanol (ICCCM) Process Technology - CRADA 449 (Final Report)

The goal of this project is to develop a prototype system that integrates the capture and catalytic hydrogenation of CO 2 into methanol in the same solvent. Ultimately, this integrated approach could provide a technology with projected reductions to capital and operating costs by at least 20% relative to a benchmark methanol synthesis via gas-phase CO 2 hydrogenation. There were five primary objectives for the project: 1. Optimize the selections of both the catalysts and the CO 2 capture solvents to achieve high conversion (>80%) and high selectivity (>90%) toward methanol in the targeted processing ranges (100-180°C, 1-60 bar). 2. Design a reactor system that provides a fixed catalyst surface area and high-efficiency heat exchange to assure compact modular processing. 3. Build and test a reactor system and demonstrate in a bench scale continuous flow system, and use the operating data to refine the comparison to existing conversion technologies. 4. Refine techno economic (TEA) and Tech-to-Market (TTM) analyses using the experimental data obtained from the bench-scale system. 5. Use the experimental data and TEA/TTM projections to develop a conceptual design for a pre-commercial system that targets a specific market opportunity.

09 BIOMASS FUELS↗

Recent advances in polymeric facilitated transport membranes for carbon dioxide separation and hydrogen purification

Membrane and membrane process have been widely considered as one of the best candidates for mitigating CO 2 emissions from the combustion or utilization of fossil fuels. Various amine-containing polymers constitute an important class of membranes, where the highly selective CO 2 transport is achieved by the facilitated transport mechanism. In this review, the amine–CO 2 chemistry is discussed in conjunction with the mechanism of the reaction-mediated CO 2 transport. A wide variety of amine-containing polymers are discussed based on two synthesis motifs: (a) polyamines with amino groups covalently bound to the polymer backbone and (b) small molecule amines embedded in a polymer matrix. This review concludes with the remarks on the facilitated transport membranes for post-combustion carbon capture (CO 2 /N 2 ) and hydrogen purification (CO 2 /H 2 ).

42 ENGINEERING↗

Grid-Scale, Long-Term Energy Storage: Repurposing Hydrocarbon Reservoirs, Resources, and Infrastructure to Store CO 2 and Heat (Mid-Project Progress Report)

The purpose of this project is to create a viable business case for CO 2 capture, use, and storage (CCUS) by enabling grid-scale, long-term energy storage in mature hydrocarbon reservoirs and saline aquifers. Our CCUS approach, called the Earth Battery, is based on patents issued to Lawrence Livermore National Laboratory on Multi-Fluid Geo-Energy and Earth Battery Systems and to the University of Minnesota and TerraCOH, Inc. on CO 2 Plume Geothermal (CPG). Excess energy can be used to compress and store CO 2 and hot brine underground in permeable formations, including: (1) saline aquifers suitable for geologic CO 2 storage (GCS) and (2) hydrocarbon reservoirs, the focus of this project featuring a pilot test in a mature oil and natural gas (NG) field. Excess energy can come in the form of excess electricity from the grid or excess NG that does not have a market. It can also come in the form of excess heat from other sources, such as from the heat of air or CO 2 compression or from a nearby base-load power plant or solar thermal energy (STE) facility, when heat is not needed to generate electricity from those sources.

15 GEOTHERMAL ENERGY↗

Techno-economic analysis and network design for CO 2 conversion to jet fuels in the United States

The conversion of carbon dioxide (CO 2 ) into jet fuel holds significant potential for reducing CO 2 emissions, providing an alternative to carbon-based resources, and offering a renewable means of energy storage. The objective of this study is to conduct a techno-economic analysis and optimize the supply chain network for converting CO 2 to jet fuel in the United States, aiming to minimize total costs while assessing the environmental and economic feasibility of two CO 2 conversion pathways. This first pathway is based on Fischer-Tropsch synthesis (FTS), and the other one is based on the valorization and upgrading of light methanol (MeOH). Incorporating spatial and techno-economic data, a mixed-integer linear programming model was developed to select source plants and conversion pathways, locations of conversion refinery sites, and the amount of captured CO 2 across the United States. The optimal results indicate that the FTS pathway is adopted at all selected refineries when the hydrogen price is 1000 dollars/t and the operating cost, mainly electricity used in conversion, is reduced to 5 % of its current level. Under this scenario, the total annual profit is 8 billion dollars, and the net carbon emissions are -88,783,284 tons. The sensitivity analyses reveal that the prices of electricity and hydrogen significantly contribute to total production costs. The CO 2 recycle percentage of the FTS pathway influences the choice of applied pathways at refineries. Additionally, a higher conversion rate holds a substantial promise for reducing the total production cost and can make the MeOH pathway a viable choice.

10 SYNTHETIC FUELS↗

Abstract for CRADA between National Energy Technology Laboratory and OCO Chem

The National Energy Technology Laboratory (NETL) and OCO Chem (Participant) will collaborate in the development and scaling of electrochemical technologies that convert carbon dioxide (CO 2 ) into formic acid. This CO 2 -derived product is an industrially relevant chemical with various agricultural and industrial applications, as well as an emerging liquid hydrogen carrier 53 g of H 2 per liter. The use of formic acid as a liquid hydrogen carrier eliminates the challenges of long-distance H 2 transport and storage, which could lead to additional use as a precursor in the “green” energy and chemical sectors. Conventional formic acid production relies on carbon-intensive processes that use fossil fuel-derived starting materials. The collaboration will facilitate the deployment of technologies that convert captured CO 2 , water, and excess renewable electricity into carbon-neutral formic acid. The anticipated results will reduce the carbon footprint of conventional industrial processes, allow more sustainable use of our Nation’s fossil energy resources, and advance NETL’s ongoing CO 2 utilization efforts.

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SECARB-USA: A Sub-Basin Framework for Future CO 2 Infrastructure Development

Task 4 of the SECARB-USA Project is designed to evaluate the regional needs and challenges for the development of a safe and environmentally sound CO 2 transport infrastructure. This infrastructure would transport CO 2 capture from power generating plants and/or industrial sources and distribute it to oil fields for associated storage in EOR operations, saline storage, and/or other suitable storage sites. The objective of this report on Sub-Basin Prospective Areas (Deliverable 4.1.a), is to provide the framework for understanding how regional infrastructure development could occur. The sub-basin prospective areas, in conjunction with the locations of CO 2 sources and pipeline infrastructure (for source-sink matching networks), form the basis for the analysis that will be performed in the Techno-Economic Analysis of Infrastructure Buildout Scenarios (Deliverable 4.1.b).

54 ENVIRONMENTAL SCIENCES↗

Covalent Triazine Framework-Derived Membranes: Engineered Sol–Gel Construction and Gas Separation Application

Covalent triazine frameworks (CTFs) represent one of the most extensively studied organic networks characterized by graphitic π-conjugated structures linked by aza-fused rings, possessing unique features such as compositions of light elements (e.g., C, H, and N), porous architectures abundant heteroatom involvement, and extensively conjugated structures. In addition, the textural and chemical structures of CTFs could be engineered via synthesis control to accommodate diverse applications. CTF materials with notable characteristics, including plentiful (ultra-)micropores, high surface areas, and the presence of CO 2 -philic functional groups involving nitrogen (N), oxygen (O), and fluorine (F), hold great promise as potential candidates for anthropogenic CO 2 capture and sequestration (CCS) applications. However, the conventional high-temperature involved ionothermal procedures and the solution-based coupling pathway only afforded CTF materials in powder form, which is difficult to be processed toward membrane formation. Successful fabrication of CTF-derived membranes will rely on the development of alternative polymerization approaches as well as structural engineering to afford membrane architectures with controllable porosity distribution and active interaction sites with CO 2 benefiting the CO 2 separation procedure. In this Account, a demonstration of the latest progress in the development of CTF-derived membranes was provided. The CTF membranes were mainly synthesized via a superacid (e.g., CF 3 SO 3 H)-promoted sol–gel approach involving the polymerization of aromatic nitrile monomers. The formation of the triazine unit through the trimerization of cyano groups served as the cross-linkers, resulting in the creation of π-conjugated networks alongside the arenes present in the starting materials. The aromatic nitrile monomers with rigid and sterically hindered structures were required to afford CTF membranes with nanoporous architectures. The acidity of the superacid and reactivity of the aromatic monomers played critical roles in the polymerization efficiency. The monomer diversity and synthesis tunability endowed the introduction of CO 2 -philic functionalities (e.g., pyrazole and fluorine) within the CTF skeletons, and integration of ionic moieties was achieved by adopting FSO 3 H with stronger acidity as the catalyst and aromatic nitrile monomers with pyrazine structures. To ensure the successful construction of fluorinated CTF membranes, it is important to avoid any fluorines on the ortho-position of the cyano groups on the benzene ring. Through control over the monomers and reaction conditions, flexible, transparent, and insoluble CTF membranes could be fabricated. The sol–gel method could be further expanded to membrane fabrication through acetyl-to-benzene transformation through synthesis control. The mild oxidation-exfoliation-filtration method was also demonstrated to fabricate substrate-supported CTF membranes. The as-afforded membranes are well characterized to determine the structural features and provide information to study the structure-performance relationship. Here, the application of CTF membranes in CO 2 separation was summarized, focusing on the approaches being developed to enhance CO 2 uptake and separation performance. In addition to utilizing the pristine CTF membranes for gas separation, functionalized carbon molecular sieve membranes could be obtained from the pyrolysis of thermally stable CTF membrane precursors toward efficient CO 2 separation, benefiting from the abundant ultramicropores being created during the pyrolysis/decomposition procedure and involvement of CO 2 -philic functionalities such as fluorine and nitrogen-containing moieties. Based on these achievements, unsolved issues in CTF membrane-related fabrication and applications, including the potential solution approaches, have been proposed to advance the application of CTF membranes.

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