Chemical Engineering Research & Design最新文献

{"title":"Lunar industrial ecology as the core of a sustainable industrial capacity on the moon","authors":"Alex Ellery","doi":"10.1016/j.cherd.2026.09.019","DOIUrl":"10.1016/j.cherd.2026.09.019","url":null,"abstract":"<div><div>We review the concept of the lunar industrial ecology as a mechanism for constructing an industrial infrastructure on the Moon. The core idea is to exploit lunar resources – also reviewed - to enable industrial output. The demandite concept provides a clear prescription that enables lunar resources – the supply – to be mapped to demand imposed by the requirement to build the subsystems of a generic spacecraft. We describe the processing of lunar highland regolith (LHS-1 simulant) into a 3D printed aluminium tank as the backbone of the lunar industrial ecology. Aluminium is a highly multifunctional material with a diverse range of applications. HCl leaching and molten salt electrolysis are general chemical processing methods that can exploit most of the Moon’s bulk minerals. Furthermore, processing of asteroid resources on the Moon enables a broadening out of material resources. We have presented a possible pathway to lunar industrialisation.</div></div>","PeriodicalId":10019,"journal":{"name":"Chemical Engineering Research & Design","volume":"234 ","pages":"Pages 875-893"},"PeriodicalIF":4.0,"publicationDate":"2026-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149142570","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Optimizing bucket cross-sectional geometry for granular material discharge: An integrated GA–DEM screening framework with experimental validation","authors":"Supattarachai Sudsawat,&nbsp;Pirapat Arunyanart","doi":"10.1016/j.cherd.2026.08.064","DOIUrl":"10.1016/j.cherd.2026.08.064","url":null,"abstract":"<div><div>Bucket elevator throughput is sensitive to cross-sectional bucket geometry, yet constraint-based generation of cross-sections coupled with DEM discharge screening and physical validation has not previously been reported for fragile granular materials such as milled rice. This study presents a two-stage GA–DEM screening framework for AA-type bucket geometry: a Genetic Algorithm generates 15 feasible candidates by maximizing cross-sectional area under geometric constraints, and calibrated Hertz–Mindlin DEM simulation ranks candidates by discharge mass flow rate. Shape No. 4 (<em>c'</em> = 25.19 mm, <em>d'</em> = <em>h'</em> = 38.59 mm, <em>e'</em> = 29.74 mm, <em>f'</em> = 6.07 mm) achieved the highest simulated rate (0.2631 kg/s). A 3D-printed PLA prototype validated over 20 trials yielded 0.2851 kg/s (<em>RPE</em> = 7.72%), within the accepted 10% DEM threshold. The area–throughput relationship is non-monotonic: geometric proportion, not aggregate area, governs discharge; the extreme deep-lip and shallow-lip candidates delivered up to 15.6% lower throughput than the balanced proportions of Shape No. 4. The framework offers a resource-efficient screening tool and identifies balance as a recurrent design feature. Validation is limited to this single geometry at one operating condition; kernel breakage remains an acknowledged limitation and future priority, and reported gains are strictly valid for the tested condition set.</div></div>","PeriodicalId":10019,"journal":{"name":"Chemical Engineering Research & Design","volume":"234 ","pages":"Pages 1017-1031"},"PeriodicalIF":4.0,"publicationDate":"2026-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149142576","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"A predictive simulation framework for the design of an integrated reverse osmosis - nanofiltration process to concentrate volatile fatty acids mixtures","authors":"Omar Atiq,&nbsp;Serena Bandini","doi":"10.1016/j.cherd.2026.09.046","DOIUrl":"10.1016/j.cherd.2026.09.046","url":null,"abstract":"<div><div>Volatile fatty acids (VFAs) from waste-derived fermentation streams are promising precursors for biofuels, bioplastics, and other chemicals. Reverse osmosis (RO) and Nanofiltration (NF) are key technologies for VFA concentration prior to final downstream upgrading. A novel integrated RO–NF process is proposed, where RO ensures near complete VFA rejection, while NF overcomes RO osmotic pressure limitations, maximizing VFA concentration at moderate pressures; recycling NF permeate to RO enhances overall recovery. A multiscale simulation framework was developed for VFAs mixtures, comprising acetic to hexanoic. At its core lies a local membrane transport model with easily obtainable mechanistic parameters, accounting for the effects of membrane type, temperature, pH, VFAs concentration and composition. The framework was validated against batch literature data in terms of flux and permeate concentrations at 30 bar and pH<span><math><mo>≥</mo></math></span> 6 and then applied to predict steady state membrane unit performance across varying operating conditions. As a preliminary design, the RO–NF process was evaluated for a 20 g/L feed targeting 100 g/L VFA concentration, resulting in 98.9% recovery and an energy consumption of 1.7 kWh/m³ of feed at 40 bar, 30 °C, and pH 7. Overall, the framework paves the way for advanced techno-economic process design and optimization.</div></div>","PeriodicalId":10019,"journal":{"name":"Chemical Engineering Research & Design","volume":"234 ","pages":"Pages 958-978"},"PeriodicalIF":4.0,"publicationDate":"2026-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149142581","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Inverse physics-informed neural network for CaCO3 crystallization fouling: Integrating initial rate and asymptotic resistance across multi-source data","authors":"Filipe Fonseca Saboia,&nbsp;Cauane Soares Pereira,&nbsp;Joao Gabriel Pinheiro Sousa,&nbsp;Samuel Jorge Marques Cartaxo","doi":"10.1016/j.cherd.2026.09.041","DOIUrl":"10.1016/j.cherd.2026.09.041","url":null,"abstract":"<div><div>Crystallization fouling of CaCO₃ in cooling water systems degrades heat transfer efficiency, yet the transient initial fouling rate and the asymptotic fouling resistance are traditionally evaluated using separate empirical correlations developed on distinct experimental rigs. Reconciling both descriptors within a single data-driven formulation is challenging because experimental datasets are scarce, heterogeneous across flow geometries, and sensitive to reporting conventions. This study proposes a compact Inverse Physics-Informed Neural Network (<span>CaCO₃-PINN</span>) with two outputs and 9703 trainable parameters, informed by dimensionless supersaturation, temperature, and wall shear stress. The network is trained on 25 experimental points compiled from three independent sources (Watkinson 1983; Choi, via Liu 1999; Arsenyeva 2013) with a physics-constrained loss coupling rate and resistance via the Arsenyeva relationship <span><math><mrow><msubsup><mrow><mi>R</mi></mrow><mrow><mi>f</mi></mrow><mrow><mo>∗</mo></mrow></msubsup><mo>=</mo><mi>b</mi><mo>/</mo><msubsup><mrow><mi>τ</mi></mrow><mrow><mi>w</mi></mrow><mrow><mi>α</mi></mrow></msubsup></mrow></math></span>. Across five deterministic seeds, the model achieves <span><math><mrow><msup><mrow><mi>R</mi></mrow><mrow><mn>2</mn></mrow></msup><mo>=</mo><mn>0.9959</mn></mrow></math></span>–0.9985 for asymptotic resistance and <span><math><mrow><msup><mrow><mi>R</mi></mrow><mrow><mn>2</mn></mrow></msup><mo>=</mo><mn>0.853</mn></mrow></math></span>–0.910 for initial rate. The inversely recovered coefficient <span><math><mrow><mi>b</mi><mo>=</mo><mn>1.30</mn><mo>×</mo><mn>1</mn><msup><mrow><mn>0</mn></mrow><mrow><mo>−</mo><mn>4</mn></mrow></msup></mrow></math></span> K s/m matches the published plate-geometry value (<span><math><mrow><mn>1.45</mn><mo>×</mo><mn>1</mn><msup><mrow><mn>0</mn></mrow><mrow><mo>−</mo><mn>4</mn></mrow></msup></mrow></math></span> K s/m) within −10%, while the effective shear exponent (<span><math><mrow><mi>α</mi><mo>≈</mo><mn>1.43</mn></mrow></math></span>) reflects the localized operating envelope rather than a universal physical revision. Leave-One-Out cross-source validation shows that the physics constraint enables partial structural transfer across disparate geometries (<span><math><mrow><msup><mrow><mi>R</mi></mrow><mrow><mn>2</mn></mrow></msup><mo>&gt;</mo><mn>0.78</mn></mrow></math></span> on retained sources), though predictive skill remains constrained by domain boundaries. Operational scenario evaluations demonstrate that the model functions reliably as an engineering screening tool for cooling-water heat exchangers, with demonstrated validity strictly confined to CaCO₃ precipitation under the calibrated operational envelope.</div></div>","PeriodicalId":10019,"journal":{"name":"Chemical Engineering Research & Design","volume":"234 ","pages":"Pages 861-874"},"PeriodicalIF":4.0,"publicationDate":"2026-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149142575","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Investigation of UV-C/ TiO2 photocatalytic degradation of direct yellow 86: Kinetic, thermodynamic, mass transfer, statistical optimization and life cycle assessment","authors":"Harun Yiğit,&nbsp;Arzu Yadigar Dursun,&nbsp;Şevket Polan,&nbsp;Gülbeyi Dursun","doi":"10.1016/j.cherd.2026.09.050","DOIUrl":"10.1016/j.cherd.2026.09.050","url":null,"abstract":"<div><div>Direct Yellow 86 (DY86) is a persistent textile dye that requires effective treatment before discharge. This study evaluated UV-C/TiO₂ photocatalysis for DY86 removal by integrating catalyst characterization, process optimization, kinetic and thermodynamic analysis, intraparticle mass-transfer assessment, synthetic wastewater testing, and life cycle assessment (LCA). The effects of pH, TiO₂ dosage, dye concentration, airflow rate, temperature, and reaction time were examined, and response surface methodology was used to assess their effects on total organic carbon (TOC) removal. At pH 6, 2 g L⁻¹ TiO₂, 200 mg L⁻¹ DY86, and 0.2 L min⁻¹ airflow, 97.6% color removal and 66.4% TOC removal were obtained at 20 ⁰C. DY86 degradation followed first-order kinetics, with an activation energy of 16.33 kJ mol⁻¹. Thiele modulus and effectiveness factor analysis indicated that surface reaction kinetics predominantly controlled the process rather than intraparticle diffusion. In synthetic wastewater, color and TOC removals reached 97.6% and 54.4%, respectively. LCA showed that electricity contributed more than 99% of global warming, acidification, and photochemical ozone formation impacts, whereas the catalyst inventory accounted for 93.67% of aquatic eutrophication. These findings provide a basis for developing more energy-efficient and sustainable photocatalytic wastewater treatment systems.</div></div>","PeriodicalId":10019,"journal":{"name":"Chemical Engineering Research & Design","volume":"234 ","pages":"Pages 1085-1099"},"PeriodicalIF":4.0,"publicationDate":"2026-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149142569","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Hybrid and independent gaseous oxidation: New insights into oxidant stability and microbial inactivation properties","authors":"John Michael Tesha,&nbsp;Emmanuel I. Epelle","doi":"10.1016/j.cherd.2026.09.042","DOIUrl":"10.1016/j.cherd.2026.09.042","url":null,"abstract":"<div><div>The demand for effective and sustainable disinfection technologies has accelerated interest in oxidation processes for healthcare and environmental applications. In this study, the decomposition behaviours and decontamination efficacies of gaseous ozone, vaporised hydrogen peroxide (VHP), and vaporised peracetic acid (VPAA) were evaluated on porous surfaces, both individually and in hybrid combinations<em>.</em> We quantify the kinetics of gaseous and vaporised oxidant decomposition and realise that monochromatic UVC radiation accelerates oxidant decomposition compared to polychromatic UVC radiation; whereas the interactions between the oxidants have both decomposition and stabilising effects. <em>Staphylococcus aureus</em> was selected as a representative pathogen, and inactivation was quantified following controlled exposures in a bespoke chamber. Results showed that the performance of the oxidants varied with process conditions. At low oxidant doses (&lt; 200 ppm.min), none of the individual oxidants were significantly effective in inactivating <em>S. aureus</em>, resulting in &lt; 2 log₁₀ reduction; however, ozone outperformed all oxidants in this dose range. Hybridising the oxidants significantly improves performance, with ozone + VPAA and VHP + VPAA achieving the highest log reductions (~7 log₁₀) compared to the single-oxidant and other hybrid systems. These findings indicate that hybridising gaseous oxidants can overcome limitations of single oxidants by leveraging apparent synergistic chemical interactions, thereby enhancing decontamination efficacy. Additionally, we find that hybrid oxidant systems can shift between accelerated decomposition and retarded decomposition depending on oxidant sequence. While such hybrid approaches have predominantly been used for water treatment, this study provides new insights into the stability, transport, and interactions between oxidants and with contaminated porous materials in the gaseous phase. Thus, hybrid oxidation is a promising surface decontamination strategy that supports infection control measures and sustainable material reuse.</div></div>","PeriodicalId":10019,"journal":{"name":"Chemical Engineering Research & Design","volume":"234 ","pages":"Pages 1068-1084"},"PeriodicalIF":4.0,"publicationDate":"2026-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149142521","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Optimization of static mixer and gas–liquid separator in a low-concentration coal-mine gas blending system using CFD, RSM, and NSGA-II","authors":"Chaofan Pang,&nbsp;Tong Zhao,&nbsp;An Zhang,&nbsp;Bo Sun,&nbsp;Wenzheng Xu,&nbsp;Jian Song,&nbsp;Cong Peng,&nbsp;Jindui Zhu","doi":"10.1016/j.cherd.2026.09.051","DOIUrl":"10.1016/j.cherd.2026.09.051","url":null,"abstract":"<div><div>Mixing and separation of low-concentration coal-mine gas are crucial for gas utilization and the stable operation of regenerative thermal oxidation (RTO) systems. Insufficient mixing uniformity causes methane-concentration fluctuations that impair reaction efficiency, whereas incomplete droplet separation can lead to corrosion and equipment failure. To move beyond empirical design, this study develops an engineering-oriented sequential coordinated optimization framework for a static mixer and a corrugated-plate gas–liquid separator by combining computational fluid dynamics (CFD), response surface methodology (RSM), and the Non-dominated Sorting Genetic Algorithm II (NSGA-II). The proposed framework is not a fully coupled CFD simulation of the two units in a single computational domain. Instead, the static mixer is first optimized to improve methane-concentration uniformity, and its outlet condition is then used to define the representative inlet operating envelope for the downstream separator. Inlet velocity, corrugated-plate spacing, hook-spacing ratio, and bend angle are selected as design variables. A Box–Behnken design is used to construct RSM models for critical separation diameter and pressure drop, and NSGA-II is applied to generate a Pareto-optimal solution set. The selected mixer configuration achieved a simulated outlet mixing uniformity of 95.1%, compared with an experimental value of 97.8%, corresponding to a relative deviation of 2.8%. For the separator, the optimized design reduces the critical separation diameter by 75% while satisfying the prescribed pressure-drop constraint. The experimental comparison for the optimized mixer shows good agreement in mixing uniformity, with a relative deviation of 2.8%, and the separator tests reproduce the increasing trends of pressure drop and separation efficiency with inlet velocity. These results support the numerical predictions and demonstrate the engineering applicability of the proposed framework.</div></div>","PeriodicalId":10019,"journal":{"name":"Chemical Engineering Research & Design","volume":"234 ","pages":"Pages 1002-1016"},"PeriodicalIF":4.0,"publicationDate":"2026-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149142582","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Techno-economic optimization of an integrated solar PV–hydrogen system with dynamic battery control for enhanced system reliability and cost efficiency","authors":"V. Durga Praveena Kalla,&nbsp;Sridhar Palla,&nbsp;Seshagiri Rao Ambati","doi":"10.1016/j.cherd.2026.09.048","DOIUrl":"10.1016/j.cherd.2026.09.048","url":null,"abstract":"<div><div>The transition towards renewable hydrogen is essential for decarbonization, particularly in hard-to-electrify sectors such as steelmaking, chemicals and heavy transport. This work presents a simulation-based performance and economic evaluation of an integrated system of solar photovoltaic (PV) cells and alkaline electrolyze for green hydrogen (gH₂) generation based on three years of solar irradiance data from Visakhapatnam-India. While Visakhapatnam data is used for case evaluation, the proposed modeling approach is generic and scalable, enabling its application to diverse global locations with appropriate regional solar and environmental inputs. Here, we analyze three configurations: direct coupling, MPPT-DC converter integration and battery-assisted electrolysis. Using 900 PV panels, 18 electrolyzer cells and battery energy storage system (BESS), the systems are assessed for hydrogen production, process stability and Levelized Cost of Hydrogen (LCOH), which includes CAPEX and OPEX, including Utility cost. The results demonstrate that with battery-assisted systems, there is an increase in the yield of hydrogen. However, to avoid the condition of electrolyzer tripping, a large battery support is to be provided, which further adds cost. Hence, in this paper, two conditions were levied on battery discharge and dynamic discharge from batteries was considered, optimizing the LCOH and also ensuring running electrolyzer at optimal condition thereby minimizing the frequency of electrolyzer tripping on low voltage. Thus, the healthiness of equipment is ensured, which is important to ensure return on investment. Though the minimum cost with only battery support is Rs 376/kg or 3.66 €/kg, with conditioned discharge, the cost increases to Rs 434/kg or 4.20 €/kg however reduces electrolyzer tripping. A condition of integrating electrolyzer with the grid during non-solar periods is also explored, and LCOH in this case is Rs 392/kg or 3.80 €/kg. A capital recovery factor (CRF) of 0.064 was taken to calculate LCOH.</div></div>","PeriodicalId":10019,"journal":{"name":"Chemical Engineering Research & Design","volume":"234 ","pages":"Pages 1100-1114"},"PeriodicalIF":4.0,"publicationDate":"2026-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149142584","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Experimental characterization of axial impellers: Power input, flow fields, shear rate distributions, and mixing performance","authors":"Carina Zierberg,&nbsp;Lena Kögel,&nbsp;Mathias Ulbricht,&nbsp;Heyko Jürgen Schultz","doi":"10.1016/j.cherd.2026.09.054","DOIUrl":"10.1016/j.cherd.2026.09.054","url":null,"abstract":"<div><div>Three axial impellers - the Elephant Ear Impeller (EE), Pitched Blade Turbine (PBT), and UFX Turbine (Thaletec GmbH) - were experimentally characterized at laboratory scale in single- and two-stage configurations. Power consumption was measured to determine the power characteristics of the impellers. Flow fields were analyzed using stereo Particle Image Velocimetry (PIV), providing spatially resolved velocity data from which in-plane shear rate distributions were derived. Mixing times were determined via Laser-Induced Fluorescence (LIF). The collected results enable a comprehensive, process-relevant evaluation of each impeller, supporting evidence-based selection for bioprocess and chemical engineering applications.</div></div>","PeriodicalId":10019,"journal":{"name":"Chemical Engineering Research & Design","volume":"234 ","pages":"Pages 915-929"},"PeriodicalIF":4.0,"publicationDate":"2026-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149142522","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Phase-wise parameterization of mechanistic fermentation models using industrial-scale data to link growth, substrate utilization, and product formation","authors":"Aahil Khambhawala,&nbsp;Parth Shah,&nbsp;Satchit Nagpal,&nbsp;Jong-Hwan Shin,&nbsp;Jae Hoon Lee,&nbsp;Joseph Sang-Il Kwon","doi":"10.1016/j.cherd.2026.09.002","DOIUrl":"10.1016/j.cherd.2026.09.002","url":null,"abstract":"<div><div>Batch fermentations for amino acid production exhibit pronounced phase-wise shifts in growth, substrate utilization, and product formation, yet classical Monod–Luedeking–Piret formulations are typically calibrated on individual batches and often fail to generalize across industrial variability. This work presents a regression-informed parameterization framework that uncovers stable, transferable linear relationships linking cumulative product formation (<span><math><mi>Π</mi></math></span>) to integrated growth and substrate uptake <span><math><mrow><mo>(</mo><mi>M</mi><mo>,</mo><msub><mrow><mi>Σ</mi></mrow><mrow><mn>1</mn></mrow></msub><mo>,</mo><msub><mrow><mi>Σ</mi></mrow><mrow><mn>2</mn></mrow></msub><mo>)</mo></mrow></math></span>, and relating instantaneous productivity (<span><math><mi>π</mi></math></span>) to net biomass and uptake rates <span><math><mrow><mo>(</mo><msup><mrow><mi>μ</mi></mrow><mrow><mo>∗</mo></mrow></msup><mo>,</mo><msub><mrow><mi>σ</mi></mrow><mrow><mn>1</mn></mrow></msub><mo>,</mo><msub><mrow><mi>σ</mi></mrow><mrow><mn>2</mn></mrow></msub><mo>)</mo></mrow></math></span>. Analysis of 230 full-scale industrial arginine fermentation batches demonstrates that these relationships hold consistently across datasets, yielding phase-specific coefficients with clear mechanistic interpretation as growth-associated and non-growth-associated product terms, as well as substrate-to-product and substrate-to-biomass yields. Importantly, the regression relationships are not used as standalone empirical models but rather as an enabling layer to identify effective, yield-like parameters that are used directly in a three-phase first-principles model incorporating arginine inhibition, multi-substrate dependence, and death kinetics. The resulting model, calibrated using constrained nonlinear optimization, achieves substantially improved predictive accuracy relative to a single-phase formulation, particularly during biomass decline and late-stage product formation. Overall, the proposed framework provides a data-efficient and interpretable route to parameterize mechanistic fermentation models directly from industrial datasets, supports soft sensing of productivity from <span><math><msup><mrow><mi>μ</mi></mrow><mrow><mo>∗</mo></mrow></msup></math></span> and <span><math><mi>σ</mi></math></span>, and establishes a robust foundation for future first-principles or hybrid modeling of large-scale amino acid fermentations.</div></div>","PeriodicalId":10019,"journal":{"name":"Chemical Engineering Research & Design","volume":"234 ","pages":"Pages 944-955"},"PeriodicalIF":4.0,"publicationDate":"2026-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149142583","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}