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The 31st European Symposium on Computer Aided Process Engineering: ESCAPE-31, Volume 50 contains the papers presented at the 31st European Symposium of Computer Aided Process Engineering (ESCAPE) event held in Istanbul, Turkey. It is a valuable resource for chemical engineers, chemical process engineers, researchers in industry and academia, students and consultants in the chemical industries.

  • Presents findings and discussions from the 31st European Symposium of Computer Aided Process Engineering (ESCAPE) event

1. Cover image - p. i 2. Title page - p. ii 3. Table of Contents - p. iii 4. Copyright - p. iii 5. Preface - p. iii 6. National Organizing Committee - p. iii 7. Theme Coordinators - p. iii 8. International Scientific Committee - p. iii 9. Conference Secretariat - p. iii 10. PROCESS-PRODUCT DESIGN AND INTEGRATION - p. iii 11. Explanatory and Predictive Analysis of Naphtha Splitter Products - p. iii 12. Multi-objective optimization of the supply chain for the production of biofuels and high value-added products in Mexico: importance of the water footprint - p. pg6 13. Synthesis of Combined Heat and Mass Exchange Networks Via a Trust Region Filter Optimisation Algorithm Including Detailed Unit Designs - p. pg12 14. Computer-Aided Refrigerant Design: New Developments - p. pg18 15. Comparative assessment of black liquor upgraded gasification in integrated kraft pulp, methanol and dimethyl ether production plants - p. pg24 16. Sustainable Process Design and Synthesis for HDPE Recycling - p. pg30 17. A Novel Process Design for Waste Respirator Processing - p. pg36 18. Design and optimization of a shell-and-tube heat exchanger using the univariate marginal distribution algorithm - p. pg42 19. Synthesis of Microgels with Minimal Final Concentration of Initiator - p. pg48 20. Novel Dual Reactive Distillation Process for Eco-efficient Lactic Acid Recovery and Purification from Fermentation Broth - p. pg56 21. Exergy Analysis of Vacuum Distillation Unit - p. pg62 22. Computer-Aided Solvent Design Integrated with a Machine Learning-based Atom Contribution Method - p. pg68 23. A versatile modelling system for integrated chemical product design problems - p. pg74 24. An integrated system of multi effect distillation and wind power system - Evaluation of total energy saving - p. pg80 25. Modelling and Performance evaluation of the air heated and water heated Humidification-Dehumidification desalination process using solar thermal energy - p. pg86 26. Enhancement of energy saving of reverse osmosis system of Arab Potash Company via a wind energy system - p. pg93 27. Multi-objective optimization for the incorporation of safety and reliability considerations in process design - p. pg100 28. Integrating Reliability and Uncertainty in Process Synthesis - p. pg106 29. Optimization of Graded Bed Reactors for Syngas to Olefin (STO) Processes - p. pg112 30. Gas Lift Optimization for Optimum Oil Production from a Well Platform - p. pg121 31. Techno-economic evaluation of sorption enhanced steam gasification of PKS system for syngas using CaO for CO2 capture - p. pg128 32. A Robust Optimization Approach for Hydrogen Allocation Network with Parametric Uncertainties - p. pg134 33. Process Design and Techno-economic analysis of Hydrogen Production using Green Ammonia Imported from Australia- A Korea Case Study - p. pg140 34. Life Cycle Assessment of Hydrogen Production from Imported Green Ammonia: A Korea Case Study - p. pg146 35. Optimal Design of Distillation Columns Using a Combined Optimisation Approach - p. pg152 36. Process and product design for the simultaneous synthesis of xylitol and sorbitol from biomass - p. pg158 37. An approach for simultaneous computer-aided solvent design and process design for CO2 chemical absorption processes - p. pg165 38. Simulation-based Derivative-free Optimization for Hybrid Separation Design - p. pg172 39. Material Screening for Thermochemical Energy Storage in Solar Power Systems - p. pg178 40. Network design optimization of waste management systems: the case of plastics - p. pg184 41. Rational Design of Ionic Liquid Phase-Change Material for Efficient Thermal Energy Storage - p. pg190 42. Tailor-made solvents by integrated design of molecules and CO2 absorption processes - p. pg196 43. Small-scale GTL Applications with Heat Integration in Reforming and Fischer-Tropsch Stages - p. pg202 44. Automated Process Synthesis Using Reinforcement Learning - p. pg208 45. Operational Analysis of a Proton-Conducting Solid Oxide Electrolysis Cell for Synthetic Fuel Production - p. pg214 46. Octane Optimization with a Combined Machine Learning and Optimization Approach - p. pg220 47. A Platform of Machine Learning-Based Next-Generation Property Estimation Methods for CAMD - p. pg225 48. Machine Learning Analysis of the Feed Water Parameters Affecting Reverse Osmosis Membrane Operation - p. pg233 49. Novel technologies lor low-quality natural gas purification - p. pg240 50. The Influence of Cuttings Polydispersity on Wellbore Cleaning Operations using the Kinetic Theory of Granular Flow and the Dense Discrete Phase Model - p. pg246 51. A Digital Twin for Process Optimisation in Pharmaceutical Manufacturing - p. pg252 52. Development of Hybrid RTO approaches in the absence of a rigorous dynamic model by the use of Hammerstein model structures - p. pg258 53. Study of alternative configurations for methanol purification - p. pg265 54. Power-to-OME1 via Direct Oxidation of Methanol: Process Design and Global Flowsheet Optimization - p. pg267 55. A Machine Learning Approach for Device Design from Materials and Operation Data - p. pg278 56. A Computer-Aided Platform for Simultaneous Process Synthesis and Intensification - p. pg284 57. Studying the effect of solvent properties in treatment design within CO2 Integration Networks - p. pg293 58. A Multi-generation system in Sabkha-Tah operating with nanofluids and a novel RO unit. - p. pg300 59. A POD-ROM Methodology for Optimal Structuring of a Non-isothermal Fixed-bed Reactor for Process Integration - p. pg306 60. Effect of Pseudo-Homogeneous Concentration Based Kinetics on Hybrid Reactive Distillation Columns for Selectivity Engineering - p. pg312 61. An MILP model of post-combustion carbon capture based on detailed process simulation - p. pg318 62. Numerical Study of fertilizer granules dynamics within rotary drum granulator - p. pg325 63. Application of PharmaPy in the digital design of the manufacturing process of an active pharmaceutical ingredient - p. pg332 64. Computer-Aided Screening of Deep Eutectic Solvent Systems for the Associative Extraction of α-Tocopherol from Deodorizer Distillate - p. pg339 65. Investigating critical design criteria for photo-electrochemical reactors - p. pg346 66. Advanced exergoeconomic analysis of a double effect evaporation process in an instant coffee plant - p. pg352 67. Energy-efficient membrane cascades for industrial separations - p. pg358 68. Techno-economic evaluation of Carbfix technology for carbon storage in the US - p. pg364 69. Computational Exploration of Adsorption Enhanced Haber-Bosch using MOFs and Ionic Liquid/MOFs - p. pg371 70. Optimization of a Continuous Fluidized Bed Process for the Separation of Enantiomers by Preferential Crystallization - p. pg378 71. Methanol and power production from waste tyres: a process synthesis approach - p. pg386 72. Analysing the robustness of multi-stage bioseparations to measurement errors - p. pg392 73. Improvements in Methyl Ethyl Ketone Production Through Intensified Processes - p. pg392 74. DATA ANALYTICS, MODELING, OPTIMİZATION AND SIMULATION - p. pg405 75. Flexibility Assessment of Spirits Distillation Processes: Focus on the Armagnac Distillation - p. pg405 76. OUTDOOR – An open-source superstructure construction and optimization tool - p. pg412 77. Probabilistic Modeling for Optimization of Bioreactors using Reinforcement Learning with Active Inference - p. pg418 78. SPH Simulation of the Rising of a Kerosene Bubble in a Water Column: Effect of the Injection Condition - p. pg424 79. Novel method for properties prediction of pure organic compounds using machine learning - p. pg430 80. Self-learning surrogate models in superstructure optimization - p. pg437 81. Data-driven Modeling of an Industrial Ethylene Oxide Plant: Superstructure-based Optimal Design for Artificial Neural Networks - p. pg444 82. Novel Tool for Selecting Surrogate Modeling Techniques for Surface Approximation - p. pg450 83. ProREFD: Tool for Automated Computer-Aided Refrigerant Design, Analysis, and Verification - p. pg456 84. Event driven analysis to enhance model calibration of experiments with high offline sampling rates - p. pg462 85. Process System Engineering Tool Integration in the Context of Industry 4.0 - p. pg468 86. Benchmarking of Surrogate Models for the Conceptual Process Design of Biorefineries - p. pg474 87. Predicting the Estrogen Receptor Activity of Environmental Chemicals by Single-Cell Image Analysis and Data-driven Modeling - p. pg480 88. Data-driven prognostics for Lithium-ion battery health monitoring - p. pg486 89. The Adaptive Radial Basis Method (ARBM): An application to the hydrodynamics of liquid-liquid dispersions - p. pg492 90. Process modeling and multi-criteria optimization of an industrial phosphoric acid wet-process - p. pg498 91. Towards Automated HAZOPs - p. pg504 92. Multi-objective optimization of co-processing of algae hydrothermal liquefaction oil and vacuum gas oil: a survey of algal oil co-processing ratio and gasoline selling price - p. pg510 93. Modeling of a software for sizing a wastewater treatment plant - p. pg516 94. Joint Chance Constraint Approach based on Data-Driven Models for Optimization Under Uncertainty applied to the Williams-Otto Process - p. pg522 95. CFD Simulations of High Efficiency Gas Cyclones: An Influence of Dustbin Geometry - p. pg528 96. InvQMOM: A Simple Inversion Method that Works - p. pg534 97. A Dual-Layer Attention-Based LSTM Network for Fed-batch Fermentation Process Modelling - p. pg540 98. Resilience and Survivability-aware Optimal Design and Operation of Interconnected Supply Chains - p. pg547 99. A Hybrid Modeling Approach for Liquid Entrainment Fraction Predictions - p. pg554 100. Rethinhing Balance Models Applied to PFRS and Extracting New Insights - p. pg559 101. Digital Twin Model Development for Chemical Plants Using Multiple Time-Steps Prediction Data-Driven Model and Rolling Training - p. pg566 102. Parameter estimation and sensitivity analysis for a diesel hydro-processing model - p. pg572 103. Model Development of Amine Regeneration Process with Electrodialysis Reclamation Unit - p. pg578 104. CO2 methanation: Reactor modelling and parametric analysis - p. pg584 105. An uncertainty-aware hybrid modelling approach using probabilistic machine learning - p. pg590 106. Modelling and Dynamic Optimization of beer fermentation towards optimal flavor and operation - p. pg597 107. On the fitting of bathtub-shaped failure models to lifetime data for selective maintenance optimization - p. pg604 108. Sampling Space Reduction for Data-driven Modelling of Batch Distillation - Introducing Expert Process Knowledge through Operation Recipes - p. pg610 109. On the acceleration of global optimization algorithms using a cutting plane decomposition and machine learning - p. pg616 110. Towards a Digital Twin: A validated Digital Model of a Pilot Scale Bioreactor producing Green Fluorescent Protein (GFP) - p. pg623 111. Automated Box-Jenkins Methodology to Forecast the Prices of Crude Oil and Its Derivatives - p. pg630 112. Systematic Modelling of Transport Processes across Interfaces - p. pg636 113. An identification approach to a reaction network for an ABE catalytic upgrade - p. pg642 114. MOSKopt: A simulation-based data-driven digital twin optimizer with embedded uncertainty quantification - p. pg648 115. Global Optimization of Mixed-Integer Polynomial Programs via Quadratic Reformulation - p. pg654 116. A data-based approach for the development of asynchronous and distributed optimization algorithms in complex engineering applications - p. pg661 117. Title Page - p. pg668 118. Copyright - p. pg668 119. How tools and technologies help drive sustainability - p. pg668 120. A homotopy continuation-based branch and bound algorithm for process synthesis and design using rigorous unit operation models - p. pg676 121. ROmodel: A Python Robust Optimization Modeling Toolbox - p. pg682 122. Modelling – Mechanistic reductionism extended with holistic empirical components - p. pg688 123. Thermodynamic Optimization of a Biomass-based Integrated Gasification Combined Cycle with Post Combustion Carbon Capture using Potassium Carbonate - p. pg694 124. The state of play towards modeling of air quality in the city of Rabat - p. pg701 125. Machine learning applications and process intelligence for cement industries - p. pg709 126. Process Modelling and Simulation of Volatile Organic Compound (VOC) Recovery from Pharmaceutical Gas Emission Streams - p. pg716 127. Multi-zonal compartmentalization methodology for surrogate modelling in continuous pharmaceutical manufacturing - p. pg723 128. ProMo variable/equation Ontology-based systemmodelling - p. pg731 129. Multi-scenario Design Optimization using ADMM of a Thermal Energy Storage System - p. pg738 130. Performance comparison of different optimization methods for the wastewater treatment plant model based on the Activated Sludge Model No. 3 and design of the plant control - p. pg745 131. Comparison of Group-Contribution and Machine Learning-based Property Prediction Models with Uncertainty Quantification - p. pg753 132. Intelligent Management Platform for Material Exchange Optimization and Industrial Symbiosis - p. pg760 133. Towards a Software Prototype for Synthesis of Operable Process Intensification Systems - p. pg766 134. Data-driven modelling of choke valve erosion using data simulated from a first principles model - p. pg772 135. A Metamodelling Approach for Air Pollution Source Estimation - p. pg778 136. Uncertainty analysis in life-cycle assessment of early-stage processes and products: a case study in dialkyl-imidazolium ionic liquids - p. pg784 137. Interval-Valued Data Learning for Robustness of Energy Recovery Systems - p. pg790 138. Rules for Predicting Benefits in Simultaneous versus Sequential Heat Integration - p. pg797 139. Processing systems design considering resilience - p. pg805 140. Applying quality assurance concepts from software development to simulation model assessment in smart equipment - p. pg812 141. Studying the Synergy between Dimension Reduction and Clustering Methods to Facilitate Fault Classification - p. pg813 142. Computational Fluid Dynamics Modelling of Phenol Oxidation in a Trickle-Bed Reactor using 3D Eulerian Model - p. pg824 143. Enhanced deterministic approach for heat exchanger network synthesis - p. pg831 144. Modelling Biogas and H2S in Anaerobic Digestion - p. pg838 145. Implementation of first-principles surface interactions in a hybrid machine learning assisted modelling of flocculation - p. pg844 146. Optimal physical property data for process simulations by optimal experimental design - p. pg850 147. On the practical identifiability of kinetic models of hydroxymethylfurfural hydrogenation in batch reaction systems - p. pg857 148. Continuous-Effort Approach to Model-Based Experimental Designs - p. pg864 149. Application of Machine Learning and Global Sensitivity Analysis for Identification and Visualization of Design Space - p. pg873 150. A Hybrid Model Coupling Advanced Oxidation Processes (AOP) and Conventional Bio-processes for the Removal of Recalcitrant Contaminants in Wastewaters - p. pg881 151. Analysis of the dissolution mechanism in the phosphoric acid manufacturing process: modelling and simulation - p. pg889 152. Focusing experiments in the early phase process design by process optimization and global sensitivity analysis - p. pg897 153. Design Space Approximation with Gaussian Processes - p. pg904 154. Employing Adaptive Just-In-Time-Learning in a Transfer Learning Frame for Soft-Sensor Design - p. pg911 155. AC-Optimal Power Flow Solutions with Security Constraints from Deep Neural Network Models - p. pg918 156. The impact of CO2 pricing in SC Resilience – An optimisation model - p. pg925 157. Machine learning-based approach to identify the optimal design and operation condition of organic solvent nanofiltration (OSN) - p. pg931 158. Development of System Dynamic Model for Sustainability driven Technology Adoption in Indian Transport Sector - p. pg938 159. Multi-Period Design Optimization of Flexible Fixed-Bed Reactors by Stoichiometry-Based Model Reduction - p. pg944 160. Optimization based sampling for gray-box modeling using a modified upper confidence bound acquisition function - p. pg952 161. How to design cooperative sustainable industrial systems? - p. pg958 162. Population Balance Modelling of Pan Granulation Processes - p. pg964 163. Estimation of cutpoint temperature under uncertain feed composition and process conditions using artificial intelligence methods - p. pg970 164. Application of Constrained EKF based State Estimation to a Coiled Flow Inverter Copolymerization Reactor - p. pg976 165. Towards Automated Information Retrieval of Process Data and Knowledge from Academic Databases - p. pg982 166. Prediction of Bioconcentration Factors (BCF) using Graph Neural Networks - p. pg989 167. Data and environment based approach for process systems engineering - p. pg997 168. A Data-based Predictive Model for Distillation Column of Bio-based 2,3-Butanediol - p. pg1004 169. Data-driven Process Design Exemplified on the Steam Methane Reforming Process - p. pg1007 170. Input transformation for linearization, decoupling and disturbance rejection with application to steam networks - p. pg1019 171. SEARCH: A Symptom-based Expert for Advanced Response to Chemical Hazards - p. pg1027 172. A Cloud Computing Application for the Supercritical Carbon Dioxide Extraction Using Coffee Grounds Silverskin - p. pg1034 173. Multi-objective optimization of the shape of a fixed-bed reactor - p. pg1040 174. Artificial Intelligence Based Prediction of Exergetic Efficiency of a Blast Furnace - p. pg1046 175. AI System for Supporting Generation of Optimal Synthetic Pathways Based on Chemical Reaction Big Data - p. pg1052 176. Application of data science to study fluorine losses in the phosphate industry - p. pg1058 177. Data-driven Branch-and-bound Algorithms for Constrained Simulation-based Optimization - p. pg1065 178. Reactor scale modelling of gas hydrate-based CO2 capture (HBCC) process - p. pg1072 179. SMITH: differential homotopy and automatic differentiation for computing thermodynamic diagrams of complex mixtures. - p. pg1079 180. Dynamic modeling of a three-phase gas-solid-liquid fluidized bed absorber for CO2 capture - p. pg1086 181. Steady and Dynamic State Simulation-based Study of the Coupling of Electrolysis and Methanation Processes within Power to Methane (PtM) Context - p. pg1092 182. Upgraded Meta-Learning based Surrogate Selection Paradigm (LEAPS2v2) - p. pg1098 183. Flexibility analysis of chemical processes considering dependencies between uncertain parameters - p. pg1104 184. Computational Characterization of a Pore Network Model by Using a Fast Nitrogen Porosimetry Simulation - p. pg1110 185. Acyclic modular flowsheet optimization using multiple trust regions and Gaussian process regression - p. pg1116 186. Systematic generation and targeting of chemical recycling pathways: A mixed plastic waste upcycling case study - p. pg1123 187. Calibration of an EPANET model by using monitoring points in the bulk distribution of Sedibeng Water, for predicting disinfectant decay - p. pg1130 188. Compartmental Modelling of Shell Side Fouling in a Shell and Tube Heat Exchanger - p. pg1136 189. Optimization-based digital design of a commercial pharmaceutical crystallization process for size and shape control - p. pg1142 190. PROCESS OPERATIONS AND CONTROL - p. pg1148 191. Condition Number As A Quantitative Measure Of Flexibility In A Process - p. pg1148 192. Nonlinear Model Predictive Control of Food Sterilization Processes - p. pg1154 193. Design and control of triple-column pressure swing distillation process for acetone-methanol-hexane separation - p. pg1160 194. Design and control of a Biobutanol Purification Process through IBE Fermentation: Basic Design Configuration - p. pg1166 195. Fault Diagnosis of Electrical Power Systems with Hybrid Quantum-Classical Deep Learning - p. pg1172 196. Data-Driven Robust MPC for Controlled Environment Agriculture - p. pg1179 197. Initialization strategy for the dynamic optimization of a batch distillation column with a rate-based model - p. pg1187 198. Adversarial Autoencoder Based Nonlinear Process Monitoring - p. pg1194 199. Machine learning for constrained self-optimizing control - p. pg1201 200. Driving Force Based Design and Control Performance Analysis of Reactive Distillation Columns - p. pg1208 201. Generating an optimal control policy via apprenticeship and reinforcement learning - p. pg1214 202. Systematic model-based dynamic optimization of a combined cooling and antisolvent multistage continuous crystallization process - p. pg1220 203. Predicting Microclimate of a Closed Greenhouse Using Support Vector Machine Regression - p. pg1227 204. Adjustable Robust Optimal Control for Nonlinear Chemical Process under Uncertainty - p. pg1234 205. Adaptive Optimal Control of Baker’s Yeast Fermentation Process with Extreme Learning Machine and Recursive Least Square Technique - p. pg1240 206. Data-based Industrial Soft-sensor Design via Optimal Subset Selection - p. pg1246 207. Economic MPC with Modifier Adaptation using Transient Measurements - p. pg1252 208. Attack Detection Using Unsupervised Learning Algorithms in Cyber-Physical Systems - p. pg1258 209. Application of Self-Optimizing Control in a Real Heat Exchanger Network - p. pg1264 210. Data-Driven Control Strategies for the Autonomous Operation of the Pharmaceutical Crystallization Process - p. pg1270 211. Dynamic optimization of a stand-alone alkaline water electrolyzer for future operation using a predicted solar forecast - p. pg1276 212. A Mixed Integer Dynamic Optimization Approach for a Hybrid-Stand Alone Solar and Wind Powered Alkaline Water Electrolyser for Renewable Hydrogen - p. pg1283 213. A framework for adaptive online model-based redesign of experiments in dynamic systems - p. pg1291 214. Investigation of the use of transient process data for steady-state Real-Time Optimization in presence of complex dynamics - p. pg1298 215. Evaluating Control Room Operator Training Outcomes Through Eye Gaze Augmented Multi-Scale Data - p. pg1305 216. Multi-layer Multivariate Statistical Analysis for Process Monitoring - p. pg1312 217. Digitalization, Control and Optimization for Cement Plants - p. pg1318 218. Process Monitoring with Advanced Analytics for Improved Plant Efficiency in the Pharmaceutical Industry - p. pg1324 219. A Study of Spectral Envelope Method for Multi-Cause Diagnosis using Industrial Data - p. pg1330 220. Dynamic Model Based Detection of Cyberattacks in Industrial Facilities - p. pg1337 221. Evaluation of control strategies in CO2 capture unit - p. pg1344 222. Modelling and Temperature Uncertainty Analysis of a Fermentation Bioreactor at an Industrial Brewery - p. pg1350 223. Symbolic transfer entropy for root cause analysis of process disturbances - p. pg1356 224. Quality-by-Control of continuous drug substance isolation: study on a novel unit for integrated filtration-drying - p. pg1362 225. Control of Batch and Continuous Crystallization Processes using Reinforcement Learning - p. pg1362 226. Title Page - p. pg1376 227. Copyright - p. pg1376 228. Process Monitoring under Uncertainty: An Opportunity for Bayesian Multilevel Modelling - p. pg1376 229. Modelling and Health Monitoring of a Pressure Regulating System - p. pg1382 230. Unsupervised Monitoring of Flocculation Processes based on Recurrence Theory - p. pg1388 231. ENERGY/WATER/FOOD NEXUS AND SUSTAINABILITY - p. pg1394 232. Optimal Supply Chain for Renewable Furfural Production Involving Economic, Environmental and Social Criteria - p. pg1394 233. Levels of Approximation for the Optimal Design of Distributed Energy Systems - p. pg1401 234. A Coordinated Framework for the Optimization of Municipal Solid Waste Management - p. pg1408 235. A Probabilistic Scenario Generation Framework for Optimal Decision Making in Turkish Renewable Energy Market - p. pg1414 236. Dynamic optimization modelling for a national-scale energy sysem in transition - p. pg1420 237. Carbon Policy Assessment in Process Integration - p. pg1426 238. Back-End Design and Development of an Energy Systems Analysis Tool - p. pg1432 239. Compression system power requirements for various CO2 sources and transportation options - p. pg1438 240. Life Cycle Optimization of Hybrid Energy Systems towards Carbon Neutrality - p. pg1444 241. Value of aggregator-led community energy storage systems with degradation constraints - p. pg1451 242. Clean Electricity Generation from Sewage: a novel Ultra-Supercritical Water Oxidation Technology with integrated CCS - p. pg1458 243. Design of Food-Energy-Water-Waste Nexus Systems in New York State under COVID-19 Pandemic - p. pg1464 244. Assessment strategies of different molten salts for heat transfer in tri-generation systems - p. pg1471 245. Techno-economic Assessment of Load Following Operation for Super-critical Power Plants Equipped with Carbon Capture Feature - p. pg1478 246. Utilisation of CO2 in transnational LNG supply chain for the enhancement of jet fuel production in globally decentralised GTL industries - p. pg1484 247. River Water Quality Prediction in Malaysia Based on Extra Tree Regression Model Coupled with Linear Discriminant Analysis (LDA) - p. pg1490 248. Synthesis and Design of Sustainable Integrated Process, Water Treatment, Energy Supply Networks and Carbon Utilization Networks Under Uncertainty - p. pg1496 249. Optimising the Sustainability Performance of an Industrial Park: an Energy-Water-Food Nexus - p. pg1503 250. A Study to Target Energy Consumption in Wastewater Treatment Plant using Machine Learning Algorithms - p. pg1510 251. Development of sustainable integrated biorefinery networks in pulp and paper industries - p. pg1516 252. Optimization of biogas autothermal reforming integrated with PEM based on renewable energy - p. pg1522 253. Integration of CO2 capture to power plants: the effect of fuel and gas composition in process configuration - p. pg1528 254. Optimal Integration of Renewables, Flexible Carbon Capture, and Energy Storage for Reducing CO2 emissions from Fossil Power Plants - p. pg1534 255. Circular Economy Systems Engineering: A case study on the Coffee Supply Chain - p. pg1540 256. Towards a Circular Economy Calculator for Measuring the “Circularity” of Companies - p. pg1546 257. Economic Optimization of Qatar’s Hydrocarbon-based Fuels for Sustainable Maritime Applications - p. pg1552 258. Unmanned aerial vehicles in precision agriculture towards circular economy: a process system engineering (PSE) assessment - p. pg1558 259. Utilisation of Carbon Dioxide and Gasified Biomass for the Generation of Value Added Products - p. pg1565 260. Synthesis of the EU Supply Networks for the Gradual Transition to 100 % Renewable Energy Production - p. pg1572 261. Simultaneous optimization and heat integration of a macroalgae-based biorefinery - p. pg1579 262. Integrated optimization of Multi-Energy System operation and thermal comfort management for buildings - p. pg1586 263. Towards a Rational, Quantum-Chemistry-Based Selection and Screening of Green Solvents for Liquid-Liquid Phase Transfer Catalysis - p. pg1592 264. A Model-Centric Multivariate Analysis for Reducing H2S Emissions in Wastewater Treatment Plants - p. pg1598 265. Gas-to-liquid strategy for liquid fuel production from industrial residue gases: Process development and technoeconomic analysis - p. pg1604 266. Multi-Objective Optimization of Lignocellulosic Ethanol Production Based on Regional Land and Water Availability - p. pg1610 267. Deep Learning and AutoML for Dynamic Modeling of LNG Regasification Process Using Seawater - p. pg1616 268. Carbon or Nitrogen-based e-fuels? A comparative techno-economic and full environmental assessment - p. pg1622 269. Techno-economic assessment of a renewable energy-based electric vehicle fast-charging station in Qatar - p. pg1628 270. Simultaneous Synthesis and Optimization of Refrigeration Cycles and Heat Exchangers Networks - p. pg1634 271. Waste- to-DME: Process Synthesis and Sustainability Evaluation - p. pg1640 272. Long-distance hydrogen delivery using a toluene-based liquid organic hydrogen carrier system - p. pg1646 273. Assessment of energy efficiency improvement in ceramic industry through waste heat recovery modelling - p. pg1652 274. Targeting and Optimisation of Industrial and Urban Symbiosis for Circular Economy - p. pg1658 275. Negative CO2 emissions in biomass gasification process with hybrid amine-deep eutectic solvents - p. pg1664 276. Development and optimization of an energy efficient and self-sustained integrated process for nitrogen removal for baseload LNG plant - p. pg1670 277. Integration of Green Power in a Gas to Liquid Process - p. pg1676 278. Comparative Study of Different Hybrid Life Cycle Assessment Methodologies Applied to Biomass-based Chemical Production - p. pg1682 279. Optimising the energy, water and food nexus node to support decision making for sustainable food security in Risky Environments - p. pg1688 280. Synthesis of Sunlight, Seawater and CO2 based Industrial Parks - p. pg1694 281. OPERATIONS AND SUPPLY CHAINS - p. pg1694 282. Planning production of solar grade silicon to yield solar panels involving behaviour of population - p. pg1694 283. Bi-level Mixed-Integer Data-Driven Optimization of Integrated Planning and Scheduling Problems - p. pg1706 284. A Prospective Approach in the Design of Lignin-Based Products Supply Chains - p. pg1713 285. Flexibility Analysis in Supply Chain Management: Application to the Traveling Salesman Problem - p. pg1720 286. Production scheduling of continuous make-and-pack processes with byproducts recycling - p. pg1726 287. Robust Optimization for Scheduling and Lot-sizing of a Single Machine with Sequence-dependent Changeovers - p. pg1732 288. Simultaneous minimization of minimum resource and storage requirements in batch process - p. pg1739 289. A Hybrid Solution Approach for Large-scale Batch Scheduling with Quantum Computing - p. pg1746 290. A Digital Twin Framework for Business Transactional Processes in Supply Chains - p. pg1753 291. A Data-Driven Approach to Plan Electricity Production from Diesel Engines with Constrained Parameters - p. pg1760 292. An Efficient Computational Strategy for Process Scheduling: a Case Study of the Omsk Lubricant Plant - p. pg1767 293. Centralised vs. decentralised production and storage: optimal design of a decarbonised hydrogen supply chain with multiple end uses - p. pg1774 294. Optimal Design of the Reverse Logistics Network of Empty Agrochemical Containers - p. pg1780 295. Designing a Rectification Strategy for Managing Disruptions in LNG Supply Chain - p. pg1786 296. Statistical Decision-Theoretic Risk Management for Planning Renewable Energy Pathways - p. pg1793 297. Supply Chain Planning with Vehicle Allocation for Gas Industry - p. pg1801 298. Optimal Day-Ahead Load Curtailment for Central Chiller Plants - p. pg1808 299. Interplaying of food supply chain resilience, industry 4.0 and sustainability in the poultry market - p. pg1814 300. Integrated Spatially Explicit Landscape and Biofuel Supply Chain Network Design - p. pg1820 301. Techno-economic and environmental assessment of Gasoline produced from GTL and MTG processes - p. pg1826 302. Simplified targeting models for Sustainable Supply Chains retrofitting in process industries - p. pg1832 303. Flexibility-expansion planning for enhanced balancing-power market participation of decentralized energy systems - p. pg1839 304. A fair profit allocation model for the distribution plan optimisation of refined products supply chains - p. pg1846 305. Markov Decision Process to Optimise Long-term Asset Maintenance and Technologies Investment in Chemical Industry - p. pg1852 306. Cost, environmental and exergy optimization of hydrogen and methane supply chains: application to Occitania region, France - p. pg1858 307. Planning of non-conventional gas field development with parametric uncertainties - p. pg1864 308. BIOLOGICAL SYSTEMS AND PROCESSES - p. pg1870 309. Effect of the lignin extraction process on the economics of a woody-based biorefinery - p. pg1870 310. Economic and environmental assessment of bio-hydrogenated diesel production process from waste cooking oil integrated with reforming process - p. pg1876 311. Modelling and simulation of a multiple feedstock integrated biorefinery for the production of aviation biofuel and other biofuels - p. pg1883 312. Coordinated Management of Agricultural Waste and High-tech Value Bioproducts - p. pg1890 313. A design and optimization framework for (bio-) chemical process based on exergo-economic and environmental aspects - p. pg1896 314. Integrating Process Simulation and Life Cycle Assessment to Evaluate the Economic and Environmental Performance of Algae Biodiesel - p. pg1902 315. Optimization of biogas production from cattle manure by anaerobic digestion using a gradient-based algorithm - p. pg1908 316. Photosynthetic Bioplastics Production with Cyanobacteria by Coupled Growth-Production Mutants - p. pg1915 317. Parametric analysis of mammalian cell (GS-NS0) culture performance for advanced mAb biopharmaceutical manufacturing - p. pg1922 318. A technoeconomic assessment of an on-site biocrude production from sewage sludge in Qatar’s wastewater treatment plants - p. pg1928 319. Production costs of advanced biofuels using a multi-component learning curve model - p. pg1935 320. Simulation of the Biofuel Production Process from Organic Fraction of Municipal Solid Waste (OFMSW) - p. pg1942 321. Comparison of different processing routes for the valorisation of olive tree pruning wastes - p. pg1948 322. The Use of GVL for Holistic Utilization of Biomass - p. pg1954 323. Valorization of sugarcane bagasse to lactic acid: Life cycle assessment and Techno-economic evaluation in Indian scenario - p. pg1961 324. Hybrid Cybernetic Modeling of the Microbial Production of Polyhydroxyalkanoates Using Two Carbon Sources - p. pg1968 325. Microbial Production of Polyhydroxyalkanoates – Modeling of Chain Length Distribution - p. pg1974 326. Identifiability of metabolic flux ratios on carbon labeling experiments - p. pg1981 327. Metabolic Network Reconstruction from Time-Series of Concentration Data: Evaluation of the Numerical Matrices Methods - p. pg1989 328. Assessment of intermediate storage and distribution nodes in personalised medicine - p. pg1996 329. Thermal treatment in dairy processes: Validation of protein deposition models - p. pg2002 330. Optimal efficiency of biomass conversion from bio-based byproducts to biofuel production in the Ethiopian sugar industry: A case study in Wonji-Shoa sugar factory, Ethiopia - p. pg2008 331. Data-driven prediction of antiviral peptides based on periodicities of amino acid properties - p. pg2017 332. Allosteric Regulation of CRYs in Mammalian Circadian Clock - p. pg2024 333. EDUCATION AND TRAINING - p. pg2030 334. Reflections on the development of scenario and problem-based chemical engineering projects - p. pg2030 335. Programming skills across the (bio)engineering curriculum – a students’ perspective - p. pg2038 336. Engineering Social Responsibility: Rising to the Challenge of Sustainable Development - p. pg2044 337. Virtualization of Pressure Control Demonstration Unit – A Step Towards Virtual Laboratory - p. pg2050 338. Complementarities of part-time and full-time postgraduates in process systems engineering (PSE): when industry and academia merges - p. pg2056 339. Building Knowledge Capacity for Quantum Computing in Engineering Education - p. pg2063 340. Teaching PSE Mastery During, and After, the COVID-19 Pandemic - p. pg2070 341. Real-Time Chemical Process Monitoring with UMAP - p. pg2076 342. Efficient Energy Integration and Design of Distillation Separation Sequences - p. pg2082 343. Enhancing operability during early stage of process synthesis considering flexibility and inherent safety simultaneously - p. pg2088

Descripcion
Descripción

The 31st European Symposium on Computer Aided Process Engineering: ESCAPE-31, Volume 50 contains the papers presented at the 31st European Symposium of Computer Aided Process Engineering (ESCAPE) event held in Istanbul, Turkey. It is a valuable resource for chemical engineers, chemical process engineers, researchers in industry and academia, students and consultants in the chemical industries.

  • Presents findings and discussions from the 31st European Symposium of Computer Aided Process Engineering (ESCAPE) event

1. Cover image - p. i 2. Title page - p. ii 3. Table of Contents - p. iii 4. Copyright - p. iii 5. Preface - p. iii 6. National Organizing Committee - p. iii 7. Theme Coordinators - p. iii 8. International Scientific Committee - p. iii 9. Conference Secretariat - p. iii 10. PROCESS-PRODUCT DESIGN AND INTEGRATION - p. iii 11. Explanatory and Predictive Analysis of Naphtha Splitter Products - p. iii 12. Multi-objective optimization of the supply chain for the production of biofuels and high value-added products in Mexico: importance of the water footprint - p. pg6 13. Synthesis of Combined Heat and Mass Exchange Networks Via a Trust Region Filter Optimisation Algorithm Including Detailed Unit Designs - p. pg12 14. Computer-Aided Refrigerant Design: New Developments - p. pg18 15. Comparative assessment of black liquor upgraded gasification in integrated kraft pulp, methanol and dimethyl ether production plants - p. pg24 16. Sustainable Process Design and Synthesis for HDPE Recycling - p. pg30 17. A Novel Process Design for Waste Respirator Processing - p. pg36 18. Design and optimization of a shell-and-tube heat exchanger using the univariate marginal distribution algorithm - p. pg42 19. Synthesis of Microgels with Minimal Final Concentration of Initiator - p. pg48 20. Novel Dual Reactive Distillation Process for Eco-efficient Lactic Acid Recovery and Purification from Fermentation Broth - p. pg56 21. Exergy Analysis of Vacuum Distillation Unit - p. pg62 22. Computer-Aided Solvent Design Integrated with a Machine Learning-based Atom Contribution Method - p. pg68 23. A versatile modelling system for integrated chemical product design problems - p. pg74 24. An integrated system of multi effect distillation and wind power system - Evaluation of total energy saving - p. pg80 25. Modelling and Performance evaluation of the air heated and water heated Humidification-Dehumidification desalination process using solar thermal energy - p. pg86 26. Enhancement of energy saving of reverse osmosis system of Arab Potash Company via a wind energy system - p. pg93 27. Multi-objective optimization for the incorporation of safety and reliability considerations in process design - p. pg100 28. Integrating Reliability and Uncertainty in Process Synthesis - p. pg106 29. Optimization of Graded Bed Reactors for Syngas to Olefin (STO) Processes - p. pg112 30. Gas Lift Optimization for Optimum Oil Production from a Well Platform - p. pg121 31. Techno-economic evaluation of sorption enhanced steam gasification of PKS system for syngas using CaO for CO2 capture - p. pg128 32. A Robust Optimization Approach for Hydrogen Allocation Network with Parametric Uncertainties - p. pg134 33. Process Design and Techno-economic analysis of Hydrogen Production using Green Ammonia Imported from Australia- A Korea Case Study - p. pg140 34. Life Cycle Assessment of Hydrogen Production from Imported Green Ammonia: A Korea Case Study - p. pg146 35. Optimal Design of Distillation Columns Using a Combined Optimisation Approach - p. pg152 36. Process and product design for the simultaneous synthesis of xylitol and sorbitol from biomass - p. pg158 37. An approach for simultaneous computer-aided solvent design and process design for CO2 chemical absorption processes - p. pg165 38. Simulation-based Derivative-free Optimization for Hybrid Separation Design - p. pg172 39. Material Screening for Thermochemical Energy Storage in Solar Power Systems - p. pg178 40. Network design optimization of waste management systems: the case of plastics - p. pg184 41. Rational Design of Ionic Liquid Phase-Change Material for Efficient Thermal Energy Storage - p. pg190 42. Tailor-made solvents by integrated design of molecules and CO2 absorption processes - p. pg196 43. Small-scale GTL Applications with Heat Integration in Reforming and Fischer-Tropsch Stages - p. pg202 44. Automated Process Synthesis Using Reinforcement Learning - p. pg208 45. Operational Analysis of a Proton-Conducting Solid Oxide Electrolysis Cell for Synthetic Fuel Production - p. pg214 46. Octane Optimization with a Combined Machine Learning and Optimization Approach - p. pg220 47. A Platform of Machine Learning-Based Next-Generation Property Estimation Methods for CAMD - p. pg225 48. Machine Learning Analysis of the Feed Water Parameters Affecting Reverse Osmosis Membrane Operation - p. pg233 49. Novel technologies lor low-quality natural gas purification - p. pg240 50. The Influence of Cuttings Polydispersity on Wellbore Cleaning Operations using the Kinetic Theory of Granular Flow and the Dense Discrete Phase Model - p. pg246 51. A Digital Twin for Process Optimisation in Pharmaceutical Manufacturing - p. pg252 52. Development of Hybrid RTO approaches in the absence of a rigorous dynamic model by the use of Hammerstein model structures - p. pg258 53. Study of alternative configurations for methanol purification - p. pg265 54. Power-to-OME1 via Direct Oxidation of Methanol: Process Design and Global Flowsheet Optimization - p. pg267 55. A Machine Learning Approach for Device Design from Materials and Operation Data - p. pg278 56. A Computer-Aided Platform for Simultaneous Process Synthesis and Intensification - p. pg284 57. Studying the effect of solvent properties in treatment design within CO2 Integration Networks - p. pg293 58. A Multi-generation system in Sabkha-Tah operating with nanofluids and a novel RO unit. - p. pg300 59. A POD-ROM Methodology for Optimal Structuring of a Non-isothermal Fixed-bed Reactor for Process Integration - p. pg306 60. Effect of Pseudo-Homogeneous Concentration Based Kinetics on Hybrid Reactive Distillation Columns for Selectivity Engineering - p. pg312 61. An MILP model of post-combustion carbon capture based on detailed process simulation - p. pg318 62. Numerical Study of fertilizer granules dynamics within rotary drum granulator - p. pg325 63. Application of PharmaPy in the digital design of the manufacturing process of an active pharmaceutical ingredient - p. pg332 64. Computer-Aided Screening of Deep Eutectic Solvent Systems for the Associative Extraction of α-Tocopherol from Deodorizer Distillate - p. pg339 65. Investigating critical design criteria for photo-electrochemical reactors - p. pg346 66. Advanced exergoeconomic analysis of a double effect evaporation process in an instant coffee plant - p. pg352 67. Energy-efficient membrane cascades for industrial separations - p. pg358 68. Techno-economic evaluation of Carbfix technology for carbon storage in the US - p. pg364 69. Computational Exploration of Adsorption Enhanced Haber-Bosch using MOFs and Ionic Liquid/MOFs - p. pg371 70. Optimization of a Continuous Fluidized Bed Process for the Separation of Enantiomers by Preferential Crystallization - p. pg378 71. Methanol and power production from waste tyres: a process synthesis approach - p. pg386 72. Analysing the robustness of multi-stage bioseparations to measurement errors - p. pg392 73. Improvements in Methyl Ethyl Ketone Production Through Intensified Processes - p. pg392 74. DATA ANALYTICS, MODELING, OPTIMİZATION AND SIMULATION - p. pg405 75. Flexibility Assessment of Spirits Distillation Processes: Focus on the Armagnac Distillation - p. pg405 76. OUTDOOR – An open-source superstructure construction and optimization tool - p. pg412 77. Probabilistic Modeling for Optimization of Bioreactors using Reinforcement Learning with Active Inference - p. pg418 78. SPH Simulation of the Rising of a Kerosene Bubble in a Water Column: Effect of the Injection Condition - p. pg424 79. Novel method for properties prediction of pure organic compounds using machine learning - p. pg430 80. Self-learning surrogate models in superstructure optimization - p. pg437 81. Data-driven Modeling of an Industrial Ethylene Oxide Plant: Superstructure-based Optimal Design for Artificial Neural Networks - p. pg444 82. Novel Tool for Selecting Surrogate Modeling Techniques for Surface Approximation - p. pg450 83. ProREFD: Tool for Automated Computer-Aided Refrigerant Design, Analysis, and Verification - p. pg456 84. Event driven analysis to enhance model calibration of experiments with high offline sampling rates - p. pg462 85. Process System Engineering Tool Integration in the Context of Industry 4.0 - p. pg468 86. Benchmarking of Surrogate Models for the Conceptual Process Design of Biorefineries - p. pg474 87. Predicting the Estrogen Receptor Activity of Environmental Chemicals by Single-Cell Image Analysis and Data-driven Modeling - p. pg480 88. Data-driven prognostics for Lithium-ion battery health monitoring - p. pg486 89. The Adaptive Radial Basis Method (ARBM): An application to the hydrodynamics of liquid-liquid dispersions - p. pg492 90. Process modeling and multi-criteria optimization of an industrial phosphoric acid wet-process - p. pg498 91. Towards Automated HAZOPs - p. pg504 92. Multi-objective optimization of co-processing of algae hydrothermal liquefaction oil and vacuum gas oil: a survey of algal oil co-processing ratio and gasoline selling price - p. pg510 93. Modeling of a software for sizing a wastewater treatment plant - p. pg516 94. Joint Chance Constraint Approach based on Data-Driven Models for Optimization Under Uncertainty applied to the Williams-Otto Process - p. pg522 95. CFD Simulations of High Efficiency Gas Cyclones: An Influence of Dustbin Geometry - p. pg528 96. InvQMOM: A Simple Inversion Method that Works - p. pg534 97. A Dual-Layer Attention-Based LSTM Network for Fed-batch Fermentation Process Modelling - p. pg540 98. Resilience and Survivability-aware Optimal Design and Operation of Interconnected Supply Chains - p. pg547 99. A Hybrid Modeling Approach for Liquid Entrainment Fraction Predictions - p. pg554 100. Rethinhing Balance Models Applied to PFRS and Extracting New Insights - p. pg559 101. Digital Twin Model Development for Chemical Plants Using Multiple Time-Steps Prediction Data-Driven Model and Rolling Training - p. pg566 102. Parameter estimation and sensitivity analysis for a diesel hydro-processing model - p. pg572 103. Model Development of Amine Regeneration Process with Electrodialysis Reclamation Unit - p. pg578 104. CO2 methanation: Reactor modelling and parametric analysis - p. pg584 105. An uncertainty-aware hybrid modelling approach using probabilistic machine learning - p. pg590 106. Modelling and Dynamic Optimization of beer fermentation towards optimal flavor and operation - p. pg597 107. On the fitting of bathtub-shaped failure models to lifetime data for selective maintenance optimization - p. pg604 108. Sampling Space Reduction for Data-driven Modelling of Batch Distillation - Introducing Expert Process Knowledge through Operation Recipes - p. pg610 109. On the acceleration of global optimization algorithms using a cutting plane decomposition and machine learning - p. pg616 110. Towards a Digital Twin: A validated Digital Model of a Pilot Scale Bioreactor producing Green Fluorescent Protein (GFP) - p. pg623 111. Automated Box-Jenkins Methodology to Forecast the Prices of Crude Oil and Its Derivatives - p. pg630 112. Systematic Modelling of Transport Processes across Interfaces - p. pg636 113. An identification approach to a reaction network for an ABE catalytic upgrade - p. pg642 114. MOSKopt: A simulation-based data-driven digital twin optimizer with embedded uncertainty quantification - p. pg648 115. Global Optimization of Mixed-Integer Polynomial Programs via Quadratic Reformulation - p. pg654 116. A data-based approach for the development of asynchronous and distributed optimization algorithms in complex engineering applications - p. pg661 117. Title Page - p. pg668 118. Copyright - p. pg668 119. How tools and technologies help drive sustainability - p. pg668 120. A homotopy continuation-based branch and bound algorithm for process synthesis and design using rigorous unit operation models - p. pg676 121. ROmodel: A Python Robust Optimization Modeling Toolbox - p. pg682 122. Modelling – Mechanistic reductionism extended with holistic empirical components - p. pg688 123. Thermodynamic Optimization of a Biomass-based Integrated Gasification Combined Cycle with Post Combustion Carbon Capture using Potassium Carbonate - p. pg694 124. The state of play towards modeling of air quality in the city of Rabat - p. pg701 125. Machine learning applications and process intelligence for cement industries - p. pg709 126. Process Modelling and Simulation of Volatile Organic Compound (VOC) Recovery from Pharmaceutical Gas Emission Streams - p. pg716 127. Multi-zonal compartmentalization methodology for surrogate modelling in continuous pharmaceutical manufacturing - p. pg723 128. ProMo variable/equation Ontology-based systemmodelling - p. pg731 129. Multi-scenario Design Optimization using ADMM of a Thermal Energy Storage System - p. pg738 130. Performance comparison of different optimization methods for the wastewater treatment plant model based on the Activated Sludge Model No. 3 and design of the plant control - p. pg745 131. Comparison of Group-Contribution and Machine Learning-based Property Prediction Models with Uncertainty Quantification - p. pg753 132. Intelligent Management Platform for Material Exchange Optimization and Industrial Symbiosis - p. pg760 133. Towards a Software Prototype for Synthesis of Operable Process Intensification Systems - p. pg766 134. Data-driven modelling of choke valve erosion using data simulated from a first principles model - p. pg772 135. A Metamodelling Approach for Air Pollution Source Estimation - p. pg778 136. Uncertainty analysis in life-cycle assessment of early-stage processes and products: a case study in dialkyl-imidazolium ionic liquids - p. pg784 137. Interval-Valued Data Learning for Robustness of Energy Recovery Systems - p. pg790 138. Rules for Predicting Benefits in Simultaneous versus Sequential Heat Integration - p. pg797 139. Processing systems design considering resilience - p. pg805 140. Applying quality assurance concepts from software development to simulation model assessment in smart equipment - p. pg812 141. Studying the Synergy between Dimension Reduction and Clustering Methods to Facilitate Fault Classification - p. pg813 142. Computational Fluid Dynamics Modelling of Phenol Oxidation in a Trickle-Bed Reactor using 3D Eulerian Model - p. pg824 143. Enhanced deterministic approach for heat exchanger network synthesis - p. pg831 144. Modelling Biogas and H2S in Anaerobic Digestion - p. pg838 145. Implementation of first-principles surface interactions in a hybrid machine learning assisted modelling of flocculation - p. pg844 146. Optimal physical property data for process simulations by optimal experimental design - p. pg850 147. On the practical identifiability of kinetic models of hydroxymethylfurfural hydrogenation in batch reaction systems - p. pg857 148. Continuous-Effort Approach to Model-Based Experimental Designs - p. pg864 149. Application of Machine Learning and Global Sensitivity Analysis for Identification and Visualization of Design Space - p. pg873 150. A Hybrid Model Coupling Advanced Oxidation Processes (AOP) and Conventional Bio-processes for the Removal of Recalcitrant Contaminants in Wastewaters - p. pg881 151. Analysis of the dissolution mechanism in the phosphoric acid manufacturing process: modelling and simulation - p. pg889 152. Focusing experiments in the early phase process design by process optimization and global sensitivity analysis - p. pg897 153. Design Space Approximation with Gaussian Processes - p. pg904 154. Employing Adaptive Just-In-Time-Learning in a Transfer Learning Frame for Soft-Sensor Design - p. pg911 155. AC-Optimal Power Flow Solutions with Security Constraints from Deep Neural Network Models - p. pg918 156. The impact of CO2 pricing in SC Resilience – An optimisation model - p. pg925 157. Machine learning-based approach to identify the optimal design and operation condition of organic solvent nanofiltration (OSN) - p. pg931 158. Development of System Dynamic Model for Sustainability driven Technology Adoption in Indian Transport Sector - p. pg938 159. Multi-Period Design Optimization of Flexible Fixed-Bed Reactors by Stoichiometry-Based Model Reduction - p. pg944 160. Optimization based sampling for gray-box modeling using a modified upper confidence bound acquisition function - p. pg952 161. How to design cooperative sustainable industrial systems? - p. pg958 162. Population Balance Modelling of Pan Granulation Processes - p. pg964 163. Estimation of cutpoint temperature under uncertain feed composition and process conditions using artificial intelligence methods - p. pg970 164. Application of Constrained EKF based State Estimation to a Coiled Flow Inverter Copolymerization Reactor - p. pg976 165. Towards Automated Information Retrieval of Process Data and Knowledge from Academic Databases - p. pg982 166. Prediction of Bioconcentration Factors (BCF) using Graph Neural Networks - p. pg989 167. Data and environment based approach for process systems engineering - p. pg997 168. A Data-based Predictive Model for Distillation Column of Bio-based 2,3-Butanediol - p. pg1004 169. Data-driven Process Design Exemplified on the Steam Methane Reforming Process - p. pg1007 170. Input transformation for linearization, decoupling and disturbance rejection with application to steam networks - p. pg1019 171. SEARCH: A Symptom-based Expert for Advanced Response to Chemical Hazards - p. pg1027 172. A Cloud Computing Application for the Supercritical Carbon Dioxide Extraction Using Coffee Grounds Silverskin - p. pg1034 173. Multi-objective optimization of the shape of a fixed-bed reactor - p. pg1040 174. Artificial Intelligence Based Prediction of Exergetic Efficiency of a Blast Furnace - p. pg1046 175. AI System for Supporting Generation of Optimal Synthetic Pathways Based on Chemical Reaction Big Data - p. pg1052 176. Application of data science to study fluorine losses in the phosphate industry - p. pg1058 177. Data-driven Branch-and-bound Algorithms for Constrained Simulation-based Optimization - p. pg1065 178. Reactor scale modelling of gas hydrate-based CO2 capture (HBCC) process - p. pg1072 179. SMITH: differential homotopy and automatic differentiation for computing thermodynamic diagrams of complex mixtures. - p. pg1079 180. Dynamic modeling of a three-phase gas-solid-liquid fluidized bed absorber for CO2 capture - p. pg1086 181. Steady and Dynamic State Simulation-based Study of the Coupling of Electrolysis and Methanation Processes within Power to Methane (PtM) Context - p. pg1092 182. Upgraded Meta-Learning based Surrogate Selection Paradigm (LEAPS2v2) - p. pg1098 183. Flexibility analysis of chemical processes considering dependencies between uncertain parameters - p. pg1104 184. Computational Characterization of a Pore Network Model by Using a Fast Nitrogen Porosimetry Simulation - p. pg1110 185. Acyclic modular flowsheet optimization using multiple trust regions and Gaussian process regression - p. pg1116 186. Systematic generation and targeting of chemical recycling pathways: A mixed plastic waste upcycling case study - p. pg1123 187. Calibration of an EPANET model by using monitoring points in the bulk distribution of Sedibeng Water, for predicting disinfectant decay - p. pg1130 188. Compartmental Modelling of Shell Side Fouling in a Shell and Tube Heat Exchanger - p. pg1136 189. Optimization-based digital design of a commercial pharmaceutical crystallization process for size and shape control - p. pg1142 190. PROCESS OPERATIONS AND CONTROL - p. pg1148 191. Condition Number As A Quantitative Measure Of Flexibility In A Process - p. pg1148 192. Nonlinear Model Predictive Control of Food Sterilization Processes - p. pg1154 193. Design and control of triple-column pressure swing distillation process for acetone-methanol-hexane separation - p. pg1160 194. Design and control of a Biobutanol Purification Process through IBE Fermentation: Basic Design Configuration - p. pg1166 195. Fault Diagnosis of Electrical Power Systems with Hybrid Quantum-Classical Deep Learning - p. pg1172 196. Data-Driven Robust MPC for Controlled Environment Agriculture - p. pg1179 197. Initialization strategy for the dynamic optimization of a batch distillation column with a rate-based model - p. pg1187 198. Adversarial Autoencoder Based Nonlinear Process Monitoring - p. pg1194 199. Machine learning for constrained self-optimizing control - p. pg1201 200. Driving Force Based Design and Control Performance Analysis of Reactive Distillation Columns - p. pg1208 201. Generating an optimal control policy via apprenticeship and reinforcement learning - p. pg1214 202. Systematic model-based dynamic optimization of a combined cooling and antisolvent multistage continuous crystallization process - p. pg1220 203. Predicting Microclimate of a Closed Greenhouse Using Support Vector Machine Regression - p. pg1227 204. Adjustable Robust Optimal Control for Nonlinear Chemical Process under Uncertainty - p. pg1234 205. Adaptive Optimal Control of Baker’s Yeast Fermentation Process with Extreme Learning Machine and Recursive Least Square Technique - p. pg1240 206. Data-based Industrial Soft-sensor Design via Optimal Subset Selection - p. pg1246 207. Economic MPC with Modifier Adaptation using Transient Measurements - p. pg1252 208. Attack Detection Using Unsupervised Learning Algorithms in Cyber-Physical Systems - p. pg1258 209. Application of Self-Optimizing Control in a Real Heat Exchanger Network - p. pg1264 210. Data-Driven Control Strategies for the Autonomous Operation of the Pharmaceutical Crystallization Process - p. pg1270 211. Dynamic optimization of a stand-alone alkaline water electrolyzer for future operation using a predicted solar forecast - p. pg1276 212. A Mixed Integer Dynamic Optimization Approach for a Hybrid-Stand Alone Solar and Wind Powered Alkaline Water Electrolyser for Renewable Hydrogen - p. pg1283 213. A framework for adaptive online model-based redesign of experiments in dynamic systems - p. pg1291 214. Investigation of the use of transient process data for steady-state Real-Time Optimization in presence of complex dynamics - p. pg1298 215. Evaluating Control Room Operator Training Outcomes Through Eye Gaze Augmented Multi-Scale Data - p. pg1305 216. Multi-layer Multivariate Statistical Analysis for Process Monitoring - p. pg1312 217. Digitalization, Control and Optimization for Cement Plants - p. pg1318 218. Process Monitoring with Advanced Analytics for Improved Plant Efficiency in the Pharmaceutical Industry - p. pg1324 219. A Study of Spectral Envelope Method for Multi-Cause Diagnosis using Industrial Data - p. pg1330 220. Dynamic Model Based Detection of Cyberattacks in Industrial Facilities - p. pg1337 221. Evaluation of control strategies in CO2 capture unit - p. pg1344 222. Modelling and Temperature Uncertainty Analysis of a Fermentation Bioreactor at an Industrial Brewery - p. pg1350 223. Symbolic transfer entropy for root cause analysis of process disturbances - p. pg1356 224. Quality-by-Control of continuous drug substance isolation: study on a novel unit for integrated filtration-drying - p. pg1362 225. Control of Batch and Continuous Crystallization Processes using Reinforcement Learning - p. pg1362 226. Title Page - p. pg1376 227. Copyright - p. pg1376 228. Process Monitoring under Uncertainty: An Opportunity for Bayesian Multilevel Modelling - p. pg1376 229. Modelling and Health Monitoring of a Pressure Regulating System - p. pg1382 230. Unsupervised Monitoring of Flocculation Processes based on Recurrence Theory - p. pg1388 231. ENERGY/WATER/FOOD NEXUS AND SUSTAINABILITY - p. pg1394 232. Optimal Supply Chain for Renewable Furfural Production Involving Economic, Environmental and Social Criteria - p. pg1394 233. Levels of Approximation for the Optimal Design of Distributed Energy Systems - p. pg1401 234. A Coordinated Framework for the Optimization of Municipal Solid Waste Management - p. pg1408 235. A Probabilistic Scenario Generation Framework for Optimal Decision Making in Turkish Renewable Energy Market - p. pg1414 236. Dynamic optimization modelling for a national-scale energy sysem in transition - p. pg1420 237. Carbon Policy Assessment in Process Integration - p. pg1426 238. Back-End Design and Development of an Energy Systems Analysis Tool - p. pg1432 239. Compression system power requirements for various CO2 sources and transportation options - p. pg1438 240. Life Cycle Optimization of Hybrid Energy Systems towards Carbon Neutrality - p. pg1444 241. Value of aggregator-led community energy storage systems with degradation constraints - p. pg1451 242. Clean Electricity Generation from Sewage: a novel Ultra-Supercritical Water Oxidation Technology with integrated CCS - p. pg1458 243. Design of Food-Energy-Water-Waste Nexus Systems in New York State under COVID-19 Pandemic - p. pg1464 244. Assessment strategies of different molten salts for heat transfer in tri-generation systems - p. pg1471 245. Techno-economic Assessment of Load Following Operation for Super-critical Power Plants Equipped with Carbon Capture Feature - p. pg1478 246. Utilisation of CO2 in transnational LNG supply chain for the enhancement of jet fuel production in globally decentralised GTL industries - p. pg1484 247. River Water Quality Prediction in Malaysia Based on Extra Tree Regression Model Coupled with Linear Discriminant Analysis (LDA) - p. pg1490 248. Synthesis and Design of Sustainable Integrated Process, Water Treatment, Energy Supply Networks and Carbon Utilization Networks Under Uncertainty - p. pg1496 249. Optimising the Sustainability Performance of an Industrial Park: an Energy-Water-Food Nexus - p. pg1503 250. A Study to Target Energy Consumption in Wastewater Treatment Plant using Machine Learning Algorithms - p. pg1510 251. Development of sustainable integrated biorefinery networks in pulp and paper industries - p. pg1516 252. Optimization of biogas autothermal reforming integrated with PEM based on renewable energy - p. pg1522 253. Integration of CO2 capture to power plants: the effect of fuel and gas composition in process configuration - p. pg1528 254. Optimal Integration of Renewables, Flexible Carbon Capture, and Energy Storage for Reducing CO2 emissions from Fossil Power Plants - p. pg1534 255. Circular Economy Systems Engineering: A case study on the Coffee Supply Chain - p. pg1540 256. Towards a Circular Economy Calculator for Measuring the “Circularity” of Companies - p. pg1546 257. Economic Optimization of Qatar’s Hydrocarbon-based Fuels for Sustainable Maritime Applications - p. pg1552 258. Unmanned aerial vehicles in precision agriculture towards circular economy: a process system engineering (PSE) assessment - p. pg1558 259. Utilisation of Carbon Dioxide and Gasified Biomass for the Generation of Value Added Products - p. pg1565 260. Synthesis of the EU Supply Networks for the Gradual Transition to 100 % Renewable Energy Production - p. pg1572 261. Simultaneous optimization and heat integration of a macroalgae-based biorefinery - p. pg1579 262. Integrated optimization of Multi-Energy System operation and thermal comfort management for buildings - p. pg1586 263. Towards a Rational, Quantum-Chemistry-Based Selection and Screening of Green Solvents for Liquid-Liquid Phase Transfer Catalysis - p. pg1592 264. A Model-Centric Multivariate Analysis for Reducing H2S Emissions in Wastewater Treatment Plants - p. pg1598 265. Gas-to-liquid strategy for liquid fuel production from industrial residue gases: Process development and technoeconomic analysis - p. pg1604 266. Multi-Objective Optimization of Lignocellulosic Ethanol Production Based on Regional Land and Water Availability - p. pg1610 267. Deep Learning and AutoML for Dynamic Modeling of LNG Regasification Process Using Seawater - p. pg1616 268. Carbon or Nitrogen-based e-fuels? A comparative techno-economic and full environmental assessment - p. pg1622 269. Techno-economic assessment of a renewable energy-based electric vehicle fast-charging station in Qatar - p. pg1628 270. Simultaneous Synthesis and Optimization of Refrigeration Cycles and Heat Exchangers Networks - p. pg1634 271. Waste- to-DME: Process Synthesis and Sustainability Evaluation - p. pg1640 272. Long-distance hydrogen delivery using a toluene-based liquid organic hydrogen carrier system - p. pg1646 273. Assessment of energy efficiency improvement in ceramic industry through waste heat recovery modelling - p. pg1652 274. Targeting and Optimisation of Industrial and Urban Symbiosis for Circular Economy - p. pg1658 275. Negative CO2 emissions in biomass gasification process with hybrid amine-deep eutectic solvents - p. pg1664 276. Development and optimization of an energy efficient and self-sustained integrated process for nitrogen removal for baseload LNG plant - p. pg1670 277. Integration of Green Power in a Gas to Liquid Process - p. pg1676 278. Comparative Study of Different Hybrid Life Cycle Assessment Methodologies Applied to Biomass-based Chemical Production - p. pg1682 279. Optimising the energy, water and food nexus node to support decision making for sustainable food security in Risky Environments - p. pg1688 280. Synthesis of Sunlight, Seawater and CO2 based Industrial Parks - p. pg1694 281. OPERATIONS AND SUPPLY CHAINS - p. pg1694 282. Planning production of solar grade silicon to yield solar panels involving behaviour of population - p. pg1694 283. Bi-level Mixed-Integer Data-Driven Optimization of Integrated Planning and Scheduling Problems - p. pg1706 284. A Prospective Approach in the Design of Lignin-Based Products Supply Chains - p. pg1713 285. Flexibility Analysis in Supply Chain Management: Application to the Traveling Salesman Problem - p. pg1720 286. Production scheduling of continuous make-and-pack processes with byproducts recycling - p. pg1726 287. Robust Optimization for Scheduling and Lot-sizing of a Single Machine with Sequence-dependent Changeovers - p. pg1732 288. Simultaneous minimization of minimum resource and storage requirements in batch process - p. pg1739 289. A Hybrid Solution Approach for Large-scale Batch Scheduling with Quantum Computing - p. pg1746 290. A Digital Twin Framework for Business Transactional Processes in Supply Chains - p. pg1753 291. A Data-Driven Approach to Plan Electricity Production from Diesel Engines with Constrained Parameters - p. pg1760 292. An Efficient Computational Strategy for Process Scheduling: a Case Study of the Omsk Lubricant Plant - p. pg1767 293. Centralised vs. decentralised production and storage: optimal design of a decarbonised hydrogen supply chain with multiple end uses - p. pg1774 294. Optimal Design of the Reverse Logistics Network of Empty Agrochemical Containers - p. pg1780 295. Designing a Rectification Strategy for Managing Disruptions in LNG Supply Chain - p. pg1786 296. Statistical Decision-Theoretic Risk Management for Planning Renewable Energy Pathways - p. pg1793 297. Supply Chain Planning with Vehicle Allocation for Gas Industry - p. pg1801 298. Optimal Day-Ahead Load Curtailment for Central Chiller Plants - p. pg1808 299. Interplaying of food supply chain resilience, industry 4.0 and sustainability in the poultry market - p. pg1814 300. Integrated Spatially Explicit Landscape and Biofuel Supply Chain Network Design - p. pg1820 301. Techno-economic and environmental assessment of Gasoline produced from GTL and MTG processes - p. pg1826 302. Simplified targeting models for Sustainable Supply Chains retrofitting in process industries - p. pg1832 303. Flexibility-expansion planning for enhanced balancing-power market participation of decentralized energy systems - p. pg1839 304. A fair profit allocation model for the distribution plan optimisation of refined products supply chains - p. pg1846 305. Markov Decision Process to Optimise Long-term Asset Maintenance and Technologies Investment in Chemical Industry - p. pg1852 306. Cost, environmental and exergy optimization of hydrogen and methane supply chains: application to Occitania region, France - p. pg1858 307. Planning of non-conventional gas field development with parametric uncertainties - p. pg1864 308. BIOLOGICAL SYSTEMS AND PROCESSES - p. pg1870 309. Effect of the lignin extraction process on the economics of a woody-based biorefinery - p. pg1870 310. Economic and environmental assessment of bio-hydrogenated diesel production process from waste cooking oil integrated with reforming process - p. pg1876 311. Modelling and simulation of a multiple feedstock integrated biorefinery for the production of aviation biofuel and other biofuels - p. pg1883 312. Coordinated Management of Agricultural Waste and High-tech Value Bioproducts - p. pg1890 313. A design and optimization framework for (bio-) chemical process based on exergo-economic and environmental aspects - p. pg1896 314. Integrating Process Simulation and Life Cycle Assessment to Evaluate the Economic and Environmental Performance of Algae Biodiesel - p. pg1902 315. Optimization of biogas production from cattle manure by anaerobic digestion using a gradient-based algorithm - p. pg1908 316. Photosynthetic Bioplastics Production with Cyanobacteria by Coupled Growth-Production Mutants - p. pg1915 317. Parametric analysis of mammalian cell (GS-NS0) culture performance for advanced mAb biopharmaceutical manufacturing - p. pg1922 318. A technoeconomic assessment of an on-site biocrude production from sewage sludge in Qatar’s wastewater treatment plants - p. pg1928 319. Production costs of advanced biofuels using a multi-component learning curve model - p. pg1935 320. Simulation of the Biofuel Production Process from Organic Fraction of Municipal Solid Waste (OFMSW) - p. pg1942 321. Comparison of different processing routes for the valorisation of olive tree pruning wastes - p. pg1948 322. The Use of GVL for Holistic Utilization of Biomass - p. pg1954 323. Valorization of sugarcane bagasse to lactic acid: Life cycle assessment and Techno-economic evaluation in Indian scenario - p. pg1961 324. Hybrid Cybernetic Modeling of the Microbial Production of Polyhydroxyalkanoates Using Two Carbon Sources - p. pg1968 325. Microbial Production of Polyhydroxyalkanoates – Modeling of Chain Length Distribution - p. pg1974 326. Identifiability of metabolic flux ratios on carbon labeling experiments - p. pg1981 327. Metabolic Network Reconstruction from Time-Series of Concentration Data: Evaluation of the Numerical Matrices Methods - p. pg1989 328. Assessment of intermediate storage and distribution nodes in personalised medicine - p. pg1996 329. Thermal treatment in dairy processes: Validation of protein deposition models - p. pg2002 330. Optimal efficiency of biomass conversion from bio-based byproducts to biofuel production in the Ethiopian sugar industry: A case study in Wonji-Shoa sugar factory, Ethiopia - p. pg2008 331. Data-driven prediction of antiviral peptides based on periodicities of amino acid properties - p. pg2017 332. Allosteric Regulation of CRYs in Mammalian Circadian Clock - p. pg2024 333. EDUCATION AND TRAINING - p. pg2030 334. Reflections on the development of scenario and problem-based chemical engineering projects - p. pg2030 335. Programming skills across the (bio)engineering curriculum – a students’ perspective - p. pg2038 336. Engineering Social Responsibility: Rising to the Challenge of Sustainable Development - p. pg2044 337. Virtualization of Pressure Control Demonstration Unit – A Step Towards Virtual Laboratory - p. pg2050 338. Complementarities of part-time and full-time postgraduates in process systems engineering (PSE): when industry and academia merges - p. pg2056 339. Building Knowledge Capacity for Quantum Computing in Engineering Education - p. pg2063 340. Teaching PSE Mastery During, and After, the COVID-19 Pandemic - p. pg2070 341. Real-Time Chemical Process Monitoring with UMAP - p. pg2076 342. Efficient Energy Integration and Design of Distillation Separation Sequences - p. pg2082 343. Enhancing operability during early stage of process synthesis considering flexibility and inherent safety simultaneously - p. pg2088

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