Applicability of the Linearized Poisson-Boltzmann Theory to Contact Angle problems and Application to the Carbon Dioxide-Brine-Solid Systems
Bibliographic record
Abstract
Abstract In colloidal science and bioelectrostatics, the linear Poisson Boltzmann Equation (LPBE) has been used extensively for the calculation of potential and surface charge density. Its fundamental assumption rests on the premises of low surface potential. In the geological sequestration of carbon dioxide in saline aquifers, very low pH conditions coupled with adsorption induced reduction of surface charge density result in low pH conditions that fit into the LPB theory. In this work, the Gouy-Chapman model of the electrical double layer has been employed in addition to the LPBE theory to develop a contact angle model that is a second-degree polynomial in pH. Our model contains the point of zero charge pH of solid surface. To render the model applicable to heterogeneous surfaces, we have further developed a model for the effective value of the point of zero charge pH. The point of zero charge pH model when integrated into our model enabled us to determine the point of zero charge pH of sandstone, quartz and mica using literature based experimental data. In this regard, a literature based thermodynamic model was used to calculate carbon dioxide solubility and pH of aqueous solution. Values of point of zero charge pH determined in this paper agree with reported ones. The novelty of our work stems from the fact that we have used the LPB theory in the context of interfacial science completely different from the classical approach, where the focus is on interparticle electrostatics involving colloidal stabilization.
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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 | 0.001 | 0.002 |
| Meta-epidemiology (narrow) | 0.001 | 0.000 |
| Meta-epidemiology (broad) | 0.001 | 0.001 |
| Bibliometrics | 0.001 | 0.000 |
| Science and technology studies | 0.001 | 0.001 |
| Scholarly communication | 0.001 | 0.001 |
| Open science | 0.001 | 0.001 |
| Research integrity | 0.001 | 0.001 |
| Insufficient payload (model declined to judge) | 0.002 | 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".