Carbon dioxide capture and sequestration (CCS) in deep geological formations has recently emerged as an important option for reducing greenhouse emissions. If CCS is implemented on the scale needed to make noticeable reductions in atmospheric CO2, a billion metric tons or more must be sequestered annually—a 250 fold increase over the amount sequestered today. Securing such a large volume will require a solid scientific foundation defining the coupled hydrologic-geochemical-geomechanical processes that govern the long-term fate of CO2 in the subsurface. Also needed are methods to characterize and select sequestration sites, subsurface engineering to optimize performance and cost, approaches to ensure safe operation, monitoring technology, remediation methods, regulatory overview, and an institutional approach for managing long-term liability.

CO2 Sequestration in Deep Sedimentary Formations

A general description of the mathematical and numerical formulations used in modern numerical reactive transport codes relevant for subsurface environmental simulations is presented. The formulations are followed by short descriptions of commonly used and available subsurface simulators that consider continuum representations of flow, transport, and reactions in porous media. These formulations are applicable to most of the subsurface environmental benchmark problems included in this special issue. The list of codes described briefly here includes PHREEQC, HPx, PHT3D, OpenGeoSys (OGS), HYTEC, ORCHESTRA, TOUGHREACT, eSTOMP, HYDROGEOCHEM, CrunchFlow, MIN3P, and PFLOTRAN. The descriptions include a high-level list of capabilities for each of the codes, along with a selective list of applications that highlight their capabilities and historical development.

/pdf/reactive-transport-codes-for-subsurface-environmental-245ig8civz.pdf

Reactive transport codes for subsurface environmental simulation

All soils harbor microaggregates, i.e., compound soil structures smaller than 250 µm. These microaggregates are composed of diverse mineral, organic and biotic materials that are bound together during pedogenesis by various physical, chemical and biological processes. Consequently, microaggregates can withstand strong mechanical and physicochemical stresses and survive slaking in water, allowing them to persist in soils for several decades. Together with the physiochemical heterogeneity of their surfaces, the three-dimensional structure of microaggregates provides a large variety of ecological niches that contribute to the vast biological diversity found in soils. As reported for larger aggregate units, microaggregates are composed of smaller building units that become more complex with increasing size. In this context, organo-mineral associations can be considered structural units of soil aggregates and as nanoparticulate fractions of the microaggregates themselves. The mineral phases considered to be the most important as microaggregate forming materials are the clay minerals and Fe- and Al-(hydr)oxides. Within microaggregates, minerals are bound together primarily by physicochemical and chemical interactions involving cementing and gluing agents. The former comprise, among others, carbonates and the short-range ordered phases of Fe, Mn, and Al. The latter comprise organic materials of diverse origin and probably involve macromolecules and macromolecular mixtures. Work on microaggregate structure and development has largely focused on organic matter stability and turnover. However, little is known concerning the role microaggregates play in the fate of elements like Si, Fe, Al, P, and S. More recently, the role of microaggregates in the formation of microhabitats and the biogeography and diversity of microbial communities has been investigated. Little is known regarding how microaggregates and their properties change in time, which strongly limits our understanding of micro-scale soil structure dynamics. Similarly, only limited information is available on the mechanical stability of microaggregates, while essentially nothing is known about the flow and transport of fluids and solutes within the micro- and nanoporous microaggregate systems. Any quantitative approaches being developed for the modeling of formation, structure and properties of microaggregates are, therefore, in their infancy. We respond to the growing awareness of the importance of microaggregates for the structure, properties and functions of soils by reviewing what is currently known about the formation, composition and turnover of microaggregates. We aim to provide a better understanding of their role in soil function, and to present the major unknowns in current microaggregate research. We propose a harmonized concept for aggregates in soils that explicitly considers the structure and build-up of microaggregates and the role of organo-mineral associations. We call for experiments, studies and modeling endeavors that will link information on aggregate forming materials with their functional properties across a range of scales in order to better understand microaggregate formation and turnover. Finally, we hope to inspire a novel cohort of soil scientists that they might focus their research on improving our understanding of the role of microaggregates within the system of aggregates and so help to develop a unified and quantitative concept of aggregation processes in soils.

https://onlinelibrary.wiley.com/doi/pdf/10.1002/jpln.201600451

Microaggregates in soils

Newly developed high-speed, synchrotron-based X-ray computed microtomography enabled us to directly image pore-scale displacement events in porous rock in real time. Common approaches to modeling macroscopic fluid behavior are phenomenological, have many shortcomings, and lack consistent links to elementary pore-scale displacement processes, such as Haines jumps and snap-off. Unlike the common singular pore jump paradigm based on observations of restricted artificial capillaries, we found that Haines jumps typically cascade through 10–20 geometrically defined pores per event, accounting for 64% of the energy dissipation. Real-time imaging provided a more detailed fundamental understanding of the elementary processes in porous media, such as hysteresis, snap-off, and nonwetting phase entrapment, and it opens the way for a rigorous process for upscaling based on thermodynamic models.

https://www.pnas.org/content/pnas/110/10/3755.full.pdf

Real-time 3D imaging of Haines jumps in porous media flow

Non-Darcy behavior is important for describing fluid flow in porous media in situations where high velocity occurs. A criterion to identify the beginning of non-Darcy flow is needed. Two types of criteria, the Reynolds number and the Forchheimer number, have been used in the past for identifying the beginning of non-Darcy flow. Because each of these criteria has different versions of definitions, consistent results cannot be achieved. Based on a review of previous work, the Forchheimer number is revised and recommended here as a criterion for identifying non-Darcy flow in porous media. Physically, this revised Forchheimer number has the advantage of clear meaning and wide applicability. It equals the ratio of pressure drop caused by liquid–solid interactions to that by viscous resistance. It is directly related to the non-Darcy effect. Forchheimer numbers are experimentally determined for nitrogen flow in Dakota sandstone, Indiana limestone and Berea sandstone at flowrates varying four orders of magnitude. These results indicate that superficial velocity in the rocks increases non-linearly with the Forchheimer number. The critical Forchheimer number for non-Darcy flow is expressed in terms of the critical non-Darcy effect. Considering a 10% non-Darcy effect, the critical Forchheimer number would be 0.11.

E.C. Childs

Papers

Dynamics of fluids in Porous Media