Subsurface compositional simulation incorporating solute-chemistry dependent interfacial properties.
Bibliographic record
Abstract
This work details the development, validation, and application of a multiphase flow and transport modeling framework that incorporates compositionally-dependent interfacial and fluid properties. Features of this framework include rate-limited and pseudo-equilibrium interphase exchange, complex nonlinear partitioning behavior in binary and ternary liquid component systems, spatially and temporally variable fluid properties such as density and viscosity, and spatially and temporally variable interfacial properties such as interfacial tension and contact angle. These variations are reflected in the constitutive relationships of the flow and transport problem (e.g., capillary pressure-saturation, mobility, entrapment, and interphase mass exchange), which allow for the flow and transport problems to be more strongly coupled. A simplified one-dimensional numerical implementation of the model was used to examine the impact of porous medium wettability on nonaqueous phase liquid infiltration, entrapment, and mass recovery behavior. A Sherwood number-based mass transfer correlation was developed based upon laboratory studies of the dissolution of tetrachloroethene in fractionally-wet Ottawa sand columns. Results from numerical experiments indicate that both the magnitude and spatial distribution of wettability can significantly influence tetrachloroethene dissolution and mass recovery time. Using a two-dimensional implementation of the modeling framework, simulations were conducted to investigate infiltration, entrapment, and dissolution behavior in heterogeneous field scale systems where porous media wettability is correlated to permeability. Simulations reveal considerable differences in predicted depth of nonaqueous phase liquid penetration, extent of vertical spreading, and magnitude of maximum entrapped saturation for the various modeled scenarios. These differences are directly linked to observable variations in effluent concentration and mass recovery predictions obtained from aqueous phase flushing simulations. Results suggest that mass recovery behavior may be highly realization dependent and not closely correlated with geostatistical parameters. Additional demonstration of the validity and capabilities of the numerical simulator used herein is presented through the simulation of n-butanol induced density conversion of trichloroethene in one-dimensional laboratory columns. Results indicate that the simulator can accurately simulate n-butanol effluent breakthrough behavior. In addition, an examination of simulated flow and transport behavior demonstrates that the numerical simulator generates internally consistent, physically realistic, mass-conservative results.
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How this classification was reachedexpand
Full frame machine prediction
Teacher imitationNot calibrated prevalence, not ground truth. Human validation pending. The Gemma side is a direct model label for every work in the frame, read from the title-only record. The Codex side is a classifier learned from the 10,348 direct Codex labels and calibrated to design-weighted sample rates; fields without enough sample support carry no Codex call. Candidate is the union of the two sides; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels.
Distilled classifier scores by category (both heads)
| Category | Codex | Gemma |
|---|---|---|
| Metaresearch | 0.000 | 0.001 |
| Meta-epidemiology (narrow) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.000 | 0.000 |
| Bibliometrics | 0.000 | 0.000 |
| Science and technology studies | 0.000 | 0.000 |
| Scholarly communication | 0.000 | 0.001 |
| Open science | 0.001 | 0.001 |
| Research integrity | 0.001 | 0.000 |
| Insufficient payload (model declined to judge) | 0.001 | 0.000 |
Machine scores (provisional)
The two teacher heads of the student model, read on this work. A score orders the frame for review; it never asserts a category, and the validation status ships verbatim with every row.
Baseline scores from an immature model (maturity gate not passed, 7 training rounds). Scores rank; they never assert a category.
score_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from itClassification
machine, unvalidatedMachine predicted; a candidate call from one source (direct Gemma or distilled Codex), not a consensus.
How this classification was reached, model by model and score by score, is at the end of the page under "How this classification was reached".