Kinetics and transport phenomena in the chemical decomposition of copper oxychloride in the thermochemical Cu-CI Cycle
Bibliographic record
Abstract
The thermochemical copper-chlorine (Cu-Cl) cycle for hydrogen production\nincludes three chemical reactions of hydrolysis, decomposition and electrolysis. The\ndecomposition of copper oxychloride establishes the high-temperature limit of the cycle.\nBetween 430 and 530 oC, copper oxychloride (Cu2OCl2) decomposes to produce a molten\nsalt of copper (I) chloride (CuCl) and oxygen gas. The conditions that yield equilibrium at\nhigh conversion rates are not well understood. Also, the impact of feed streams containing\nby-products of incomplete reactions in an integrated thermochemical cycle of hydrogen\nproduction are also not well understood. In an integrated cycle, the hydrolysis reaction\nwhere CuCl2 reacts with steam to produce solid copper oxychloride precedes the\ndecomposition reaction. Undesirable chlorine may be released as a result of CuCl2\ndecomposition and mass imbalance of the overall cycle and additional energy\nrequirements to separate chlorine gas from the oxygen gas stream.\nIn this thesis, a new phase change predictive model is developed and compared to\nthe reaction rate kinetics in order to better understand the nature of resistances. A Stefan\nboundary condition is used in a new particle model to track the position of the moving\nsolid-liquid interface as the solid particle decomposes under the influence of heat transfer\nat the surface. Results of conversion of CuO*CuCl2 from both a thermogravimetric (TGA)\nmicrobalance and a laboratory scale batch reactor experiments are analyzed and the rate of\nendothermic reaction determined. A second particle model identifies parameters that\nimpact the transient chemical decomposition of solid particles embedded in the bulk fluid\nconsisting of molten and gaseous phases at high temperature and low Reynolds number.\nThe mass, energy, momentum and chemical reaction equations are solved for a particle\nsuddenly immersed in a viscous continuum. Numerical solutions are developed and the\nresults are validated with experimental data of small samples of chemical decomposition\nof copper oxychloride (CuO*CuCl2). This thesis provides new experimental and\ntheoretical reference for the scale-up of a CuO*CuCl2 decomposition reactor with\nconsideration of the impact on the yield of the thermochemical copper-chlorine cycle for\nthe generation of hydrogen.
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How this classification was reachedexpand
Full frame distilled prediction
Teacher imitationNot calibrated prevalence, not ground truth. Human validation pending. Learned from the 10,348 direct Codex labels and 10,348 direct Gemma labels. Candidate is the union of thresholded teacher heads; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels or direct frontier model labels.
Codex and Gemma teacher scores by category
| Category | Codex | Gemma |
|---|---|---|
| Metaresearch | 0.001 | 0.000 |
| Meta-epidemiology (narrow) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.000 | 0.000 |
| Bibliometrics | 0.000 | 0.001 |
| Science and technology studies | 0.000 | 0.001 |
| Scholarly communication | 0.000 | 0.001 |
| Open science | 0.002 | 0.000 |
| Research integrity | 0.000 | 0.001 |
| Insufficient payload (model declined to judge) | 0.000 | 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 teacher head, 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".