アルカリ性（CO → CH₃COO⁻）および酸性（CO → CH₃COOH）経路によるCO₂から酢酸への電解合成のための定常状態物質収支モデル：CARBON-ASSETモデルスイート v4.3

Unofficial AI-generated summary based on the public title and abstract. Not an official translation.

🔬研究者:CO₂電解プロセスの物質収支・エネルギー原単位を検討する研究者にとって、透明で再現可能なモデル基盤を提供する。

🏢実務担当者:CCU事業の初期設計やLCA算定に関わる企業が、電極面積や電力原単位の概算に利用できる。

🏛政策担当者:CCU技術の実装可能性を評価する際の技術的基礎資料として参考になるが、政策設計への直接的示唆は限定的。

This deposit contains version 4.3 of a suite of steady-state process mass-balance models for the electrochemical conversion of CO₂ to acetic acid (AcOH), developed by D. Di Tommaso (Queen Mary University of London). The models quantify mass, carbon and energy flows for a tandem CO₂ → CO → AcOH chain, at a reference throughput of 2 kg AcOH day⁻¹ and a design envelope of 5 kg AcOH day⁻¹ . Earlier versions were released as the CARBON-ASSET Process Mass Balance Models. Version 4.3 is a corrective release and supersedes v4.2, which should no longer be used. In v4.2 the carbon balance did not close: the closure check read 6.28 instead of 1.00. There were two causes. The fresh CO supplied by the CO₂ → CO stage was calculated from the gross CO feed rather than from the CO consumed. Glycerol carbon was left out of the carbon inputs. What v4.3 changes: Fresh CO is now the CO consumed plus the CO purged from the recycle loop. The gross feed is set by an explicit single-pass CO conversion. Carbon is conserved one-to-one in the CO₂ → CO stage. Faradaic efficiency now affects only the charge. Glycerol carbon is counted as an input. CO purge and C₂ by-products are counted as outputs. The carbon balance now closes to 1.000 in all three workbooks. Mass columns, output units and the scaling of intensive quantities are corrected, and the performance indicators are computed by the model rather than copied from the inputs. The Technical Manual (§6.3) lists every change. Three Excel workbooks are included: Alkaline / near-neutral route (primary model): 2CO + 3H₂O + 4e⁻ → CH₃COO⁻ + 3OH⁻. Acetate is protonated downstream, and the workbook includes a Scenario Comparison sheet. Acidic route : 2CO + 4H⁺ + 4e⁻ → CH₃COOH. AcOH is formed directly, with no protonation step. Comparison workbook : the alkaline model with side-by-side outputs for both routes. The models cover the full process chain: Mg-brine mineralisation to nesquehonite and mid-temperature calcination to CO₂ and MgO (B1–B4) CO₂ → CO electrolysis (B5) CO → acetate/AcOH electrolysis with CO recycle (B6, B9) an optional paired glycerol-oxidation anode (B10) downstream protonation and separation (B7–B8) All inputs are on the Assumptions sheet, and all outputs recalculate from a single throughput cell (Assumptions!C4). The deposit also includes the Technical Manual v4.3 . It documents: the assumptions register, with cell references the stoichiometric basis the CO balance and carbon-closure equations the alkaline vs acidic route comparison the critical assumption checks the model update protocol Key outputs at default inputs (2 kg AcOH day⁻¹): Electrode area for CO → acetate (B6): ≈ 1,347 cm². This is the same for both routes, since each transfers 4 electrons per product. Electrode area for CO₂ → CO (B5): ≈ 958 cm². Pure CO₂ feed: 128.7 mol day⁻¹ (5.66 kg day⁻¹). Specific electrical energy with a glycerol-oxidation anode: 10.3 kWh kg⁻¹ (alkaline) and 11.9 kWh kg⁻¹ (acidic). Specific electrical energy with an O₂-evolving anode: 12.3 kWh kg⁻¹ (alkaline) and 13.9 kWh kg⁻¹ (acidic). Carbon balance closure: 1.000. Default parameters (all editable): FE(CO) = 90 % FE(acetate) = 60 % single-pass CO conversion = 0.60 CO recycle efficiency = 0.90 CO₂ single-pass utilisation = 0.60 glycerol-oxidation voltage reduction = 0.6 V AcOH recovery = 92 % AcOH purity ≥ 95 wt % Licence: CC-BY 4.0.

• Zenodo https://zenodo.org/records/23343447first seen 2026-10-14 04:34:46