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Records Added in 2025
Records added in 2025
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Showing records 1 to 25 of 28. [First] Page: 1 2 Last
Modeling, simulation, and optimization in networked process decision-making in gasoline manufacturing
, , Ahmednooh Mahmoud, Menezes Brenno
February 1, 2025 (v1)
The proposed model focuses on yields and several properties, such as octane number (ON) pre-dictions, in the gasoline production. External streams such as ethanol and methyl terc-butyl ether (MTBE) are imported to the petroleum refinery complementing the gasoline production when boosting ON quality; these imports are considered exogenous independent variables (IVs). On the other hand, numerous trade-offs exist inside the refinery walls (the endogenous IVs) when producing the so-called pure petroleum-refined gasoline (PPRG). These diverse manufacturing IVs (endogenous factors) interplaying with out-of-refinery walls or exogenous options such as ethanol blending and banning MTBE for sustainable liquid fuels are simulated and optimized in NLP problems, whereby linear approaches are proposed in the tailored modeling and optimiza-tion in the search for optimal solutions.
Digital Supplementary Material: Short-Cut Correlations for CO2 Capture Technologies in Small-Scale Applications
So-mang Kim, Joanne Kalbusch, Grégoire Léonard
January 31, 2025 (v1)
Keywords: Carbon Capture, Short-cut Correlations, Small-scale carbon capture, Technoeconomic Analysis
The escalating urgency to address climate change has driven carbon capture (CC) technologies into the spotlight, particularly for large-scale emitters, which benefit from economies of scale. However, small-scale emitters account for a significant share of CO2 emissions, yet such applica-tions remain largely overlooked in the literature. While CC cost is often used as a key perfor-mance indicator (KPI) for CC technologies, the lack of standardized cost estimation methods leads to inconsistencies, complicating comparisons, and hindering the deployment of CC sys-tems. This study addresses these challenges by developing flexible short-cut correlations for selected CC technologies, providing estimates of the total equipment cost (TEC) and energy consumption specific to small-scale applications across various CO2 inlet concentrations (mol%) and capture scales (10 – 100 kt/y). The flexibility of the correlations enables the integration of various cost estimation methods available in the liter... [more]
Integrated LCA and Eco-design Process for Hydrogen Technologies: Case Study of the Solid Oxide Electrolyser.
Gabriel Magnaval, Tristan Debonnet, Manuele Margni
January 31, 2025 (v1)
Subject: Environment
Keywords: Eco-design Process, Life Cycle Assessment, Parametrized Life Cycle Inventory, Solid Oxide Electrolyser
This document contains digital supplementary material (LCA model including parametrized LCI with sources, unit processes and LCA results) related to the article "Integrated LCA and Eco-design Process for Hydrogen Technologies: Case Study of the Solid Oxide Electrolyser" which is submitted to the peer reviewed conference proceeding of the 35th European Symposium on Computer Aided Process Engineering (ESCAPE 35).
Methods for Efficient Solutions of Spatially Explicit Biofuels Supply Chain Models - Supplementary Material
Phuc Tran, Eric O'Neill, Christos Maravelias
January 31, 2025 (v1)
Keywords: Biofuels, Computation Performance, Energy and Sustainability, Optimization, Solution Quality, Supply Chain
The growing size and complexity of energy system optimization models, driven by high-resolution spatial data, pose significant computational challenges. This study introduces methods to reduce model’s size and improve computational efficiency while preserving solution accuracy. First, a composite-curve-based approach is proposed to aggregate granular data into larger resolutions without averaging out specific properties. Second, a general clustering method groups geographically proximate fields, replacing multiple transportation arcs with a single arc to reduce transportation-related variables. Lastly, a two-step algorithm that decomposes the sup-ply chain design problems into two smaller, more manageable subproblems is introduced. These methods are applied to a case study of switchgrass-to-biofuels network design in eight U.S. Midwest states, demonstrating their effectiveness with realistic and detailed spatial data.
Exploring Design Space and Optimization of nutrient factors for maximizing lipid production in Metchnikowia pulcherrima with Design of Experiments
Nichakorn Fungprasertkul, James Winterburn, Peter Martin
January 31, 2025 (v1)
This document contains supplementary materials for full-paper submission to ESCAPE 35 - European Symposium on Computer Aided Process Engineering.
Supplementary Material - Aspen Plus Model of a Furnace to produce Medium Pressure Steam
Thomas A Adams II
January 31, 2025 (v1)
Keywords: Aspen Plus, Furnace, Natural Gas, Steam
This is an Aspen Plus V14 model of a furnace process. Natural gas is combusted in excess air to produce heat. A heat exchanger model simulates the boiling of boiler feed water near 29 bar pressure to produce steam at about 235 deg C. Design specs are used to ensure certain process conditions and scales are met. This is supplementary material for the paper Adams TA. Exergy in Chemical Engineering Education, submitted to the ESCAPE 35 conference.
Supplementary Material - Synthesis of Distillation Flowsheets with Reinforcement Learning using Transformer Blocks
Slager Niklas, Franke Meik
January 31, 2025 (v1)
Supplementary Material for the contribution "Synthesis of Distillation Flowsheets with Reinforcement Learning using Transformer Blocks" by Niklas Slager and Meik Franke (UTwente) for ESCAPE 35
Supplementary Material - Assessing the Synergies of Thermochemical Energy Storage with Concentrated Solar Power and Carbon Capture
Nitin Dhanenjey, Ishan Bajaj
January 31, 2025 (v2)
Subject: Optimization
Keywords: Carbon capture and storage, Concentrated Solar Power, Levelized cost of Electricity, Mixed Integer Nonlinear Programming model, Modelling, Oxy-fuel Combustion, Stochastic Optimization, Technoeconomic Analysis, Thermochemical Energy Storage
The complete stochastic-based optimization model for the CSP-TCES-OFC and CSP-TCES-ASU processes are given here.
A Novel AI-Driven Approach for Parameter Estimation in Gas-Phase Fixed-Bed Experiments - Support Information
Rui D.G. Matias, Alexandre F.P. Ferreira, Idelfonso B.R. Nogueira, Ana M. Ribeiro
January 30, 2025 (v1)
Keywords: Adsorption, Artificial Intelligence, Optimization, Parameter Estimation
The transition to renewable energy sources, such as biogas, requires purification processes to separate methane from carbon dioxide, with adsorption-based methods being widely employed. Accurate simulations of these systems, governed by coupled PDEs, ODEs, and algebraic equations, critically depend on precise parameter determination. While traditional approaches often result in significant errors or complex procedures, optimization algorithms provide a more efficient and reliable means of parameter estimation, simplifying the process, improving simulation accuracy, and enhancing the understanding of these systems.
This work introduces an Artificial Intelligence-based methodology for estimating the isotherm parameters of a mathematical phenomenological model for fixed-bed experiments. The separation of CO₂ and CH₄ is used as case study. This work develops an algorithm for parameter estimation for the system's mathematical model. The results show that the validated model has a close fi... [more]
Digital supplementary material - Sustainable production of L-lactic acid from lignocellulosic biomass using an alternative buffer system: Process development and techno-economic and environmental analysis
Donggeun Kang, Donghyeon Kim, Dongin Jung, Siuk Roh, Jiyong Kim
January 30, 2025 (v2)
Keywords: alternative buffer, L-lactic acid, lignocellulosic biomass, process development, Technoeconomic Analysis
L-lactic acid (L-LA), a key monomer in biodegradable plastics, is a sustainable alternative that can be derived from LCB. The L-LA production process typically involves several various technologies such as fermentation, filtration, and distillation. In the L-LA production process, large amounts of buffers are used to maintain proper pH during fermentation, so conventional buffers (e.g., CaCO3) are often selected because of their low cost. However, these buffers cannot be recycled efficient-ly, and the potential for alternative buffers remains uncertain. In this work, we aim to develop and evaluate novel processes for sustainable L-LA production using the alternative buffer (i.e., KOH). The processes involve a series of different unit operations such as pretreatment, fermentation, ex-traction, and electrolysis. An efficient buffer regeneration process using membrane electrolysis is implemented to recycle the buffer with minimal energy input. Then, we evaluated the viability of the propo... [more]
Optimal deployment of DAC in Europe to meet net-zero emissions targets by 2050
Oumaima Rhalem, Rahul Anantharaman, Sigrid Aunsmo, Sigmund Holm, Shamim Homaei, Kang Qiu, Asgeir Tomasgard, Matteo Gazzani, Simon Roussanaly
January 30, 2025 (v1)
Subject: Environment
Keywords: Deployment, Direct Air Capture
Deploying engineered carbon dioxide removal strategies like direct air capture (DAC) will be
imperative to meet net-zero targets, given the biophysical constraints associated with land-based
methods. Thoroughly devised deployment pathways for DAC could ease the financial burdens of
adopting the technology at climate-relevant scales. Key drivers for the optimal regional rollouts of
DAC include the available energy supply and geological capacities for CO2 storage. These factors
also impose temporal constraints considering the evolving nature of energy systems and the
development of CO2 transport and storage infrastructure over time. As DAC technologies exhibit
differences in their system demands, integrating various methods into deployment strategies may
address potential trade-offs arising from regional resource endowments. Commercial-ready options
use solid sorbents or liquid solvents, while emerging methods extend to electrochemical devices
like bipolar membranes. These tech... [more]
Application of Artificial Intelligence in process simulation tool
Nikhil Rajeev, Suresh Kumar Jayaraman, Prajnan Das, Srividya Varada
January 30, 2025 (v1)
Keywords: Artificial Intelligence, ChatBot, Machine Learning, Process Design
The document is the digital supplementary material for the article titled "Application of Artificial Intelligence in process simulation tool", submitted to the ESCAPE 35 conference. It contains additional information and figures.
CHEMCAD Model for the Separation of Ethanol from Water in a Batch Column
Jan Schöneberger
January 30, 2025 (v1)
Subject: Education
This model uses the CHEMCAD unit operation Batch Column together with tools for data reconciliation and optimization. Some experimental data is included.
It is used as a template in the course Green Processes at Berlin University of Applied Science (BHT), where students use it to regress measured data from lab experiments and to design an optimal process.
CHEMCAD Model for the Distillative Separation of Ethanol from Biomass and Glucose
Jan Schöneberger
January 30, 2025 (v1)
Subject: Education
This model uses standard CHEMCAD unit operations and thermodynamic models to simulate the separation of ethanol and water from a fermenter broth.
It is used as a template in the course Green Processes at Berlin University of Applied Science (BHT), where students use it to regress measured data from lab experiments and to design an optimal process.
CHEMCAD Model for the Fermentation of Glucose to Ethanol
Jan Schöneberger
January 30, 2025 (v1)
Subject: Education
Keywords: Bioreactor, CHEMCAD, Data Reconciliation, Ethanol, Fermentation, Process Optimization, Reaction Engineering, Reaction Rate Regression, Simulation
This model uses the kinetic model from Foglers textbook "Elements of Chemical Reaction Engineering" to describe the fermentation of glucose to ethanol.
It is used as a template in the course Green Processes at Berlin University of Applied Science (BHT), where students use it to regress measured data from lab experiments and to design an optimal process.
A two-level model to assess the economic feasibility of renewable urea production from agricultural wastes
Diego Lopes, Moisés Teles dos Santos
January 29, 2025 (v1)
Subject: Optimization
This document contains digital supplementary material (detailed model results and complete database) related to the article "A two-level model to assess the economic feasibility of renewable urea production from agricultural wastes" which is submitted to the peer reviewed conference proceedings of the 35th European Symposium on Computer Aided Process Engineering (ESCAPE 35).
Supplementary material: Valorization of refinery fuel gas and biogenic gases from thermochemical conversion into low-carbon methanol. ESCAPE35 article
Eliana Lozano Sanchez, Erik Lopez-Basto, Andrea Ramirez Ramirez
January 29, 2025 (v1)
This document contains supplementary material related to the article "Valorization of refinery fuel gas and biogenic gases from thermochemical conversion into low-carbon methanol", submitted to the 35th European Symposium on Computer Aided Process Engineering (ESCAPE 35).
Towards Sustainable Processing Of Municipal Household Organic Waste: The Role Of Energy Mix Grids
Christian Ottini, Gwenola Yannou-Le Bris, Sandra Domenek, Felipe Buendia
January 29, 2025 (v1)
The reduction and recovery of organic fraction of municipal solid waste is a major challenge for contemporary society. It requires the establishment of regional strategies with minimized environ-mental impact. This study employs life cycle assessment to evaluate the respective environmental performances of the current French system based on incineration, and those of alternative systems including (i) anaerobic digestion with composting and (ii) composting for biowaste treatment under different energy scenarios. The environmental impacts of Parisian waste are calculated by consid-ering the French energy mix in 2022, the average European energy mix in 2022 and the projected French energy mix for 2030. The results show that the proportion of fossil-based sources in the energy mixes significantly influences the environmental performance of waste management sys-tems. Systems with high fossil-based sources dependency tend to favour incineration-based pro-cessing systems. This is driven by th... [more]
Surface Tension Data Analysis for Advancing Chemical Engineering Applications - Supplementary Material
Ulderico di Caprio, Flora Esposito, Bruno C. L. Rodrigues, Idelfonso B. R. Nogueira, Mumin Enis Leblebici
January 29, 2025 (v1)
Subject: Other
Keywords: Chemical Engineering, Digitalization, Surface Tension
The PDF document includes five figures that complement the article "Surface Tension Data Analysis for Advancing Chemical Engineering Applications." The figures illustrate the data distribution for parameters A and B, as well as the quality of the regressions for both parameters.
A Data-Driven Conceptual Approach to Heat Pump Sizing in Chemical Processes with Fluctuating Heat Supply and Demand - Supplementary Material
Thorben Hochhaus, Johannes Wloch, Marcus Grünewald, Julia Riese
January 28, 2025 (v1)
This document contains digital supplementary material (detailed model description, parameters for different case studies and figure of exemplary waste heat supply and heat demand) related to the article "A Data-Driven Conceptual Approach to Heat Pump Sizing in Chemical Processes with Fluctuating Heat Supply and Demand" which is submitted to the peer reviewed conference proceeding of the 35th European Symposium on Computer Aided Process Engineering (ESCAPE 35).
Design and Optimization of Alcohol-Ketone-Hydrogen Chemical Heat Pumps
Thomas A. Adams II, Rajalakshmi Krishnadoss, Idun Aalstad Dyrland
January 24, 2025 (v1)
Keywords: Aspen Plus, chemical heat pump, Energy Efficiency, Exergy Efficiency, Optimization, process design
Contains optimized design data, aspen simulation files for the three chemical heat pumps namely:
Isopropanol–acetone–hydrogen
2-Butanol–methyl ethyl ketone–hydrogen
2-Pentanol–methyl propyl ketone–hydrogen.
Optimization code (written in python) is also provided.
Synthesis of Liquid Mixture Separation Networks Using Multi-Material Membranes
Harshit Verma, Christos T. Maravelias
January 22, 2025 (v1)
Subject: Optimization
Keywords: Liquid Mixture Separations, Membrane Network Synthesis, Mixed-Integer Nonlinear Programming, Superstructure-based Optimization
The document is the digital supplementary material for the article titled "Synthesis of Liquid Mixture Separation Networks Using Multi-Material Membranes", submitted to the ESCAPE 35 conference. It contains the mathematical formulation, data tables, and additional figures.
Digital supplementary material for the article entitled "Modelling of a Heat Recovery System (HRS) Integrated with Steam Turbine Combined Heat and Power (CHP) Unit in a Petrochemical Plant"
Daniel Sousa, Miguel Castro Oliveira, Maria Cristina Fernandes
January 21, 2025 (v1)
Keywords: Combined heat and power, Heat Recovery System, Nonlinear programming, Simulation, ThermWatt computational tool, Waste heat recovery
This document contains digital supplementary material (model validation, flowsheets and detailed simulation/optimisation results) related to the article entitled “Modelling of a Heat Recovery System (HRS) Integrated with Steam Turbine Combined Heat and Power (CHP) Unit in a Petrochemical Plant”, which is part of the peer reviewed conference proceeding of the 35th European Symposium on Computer Aided Process Engineering (ESCAPE 35).
Materials-Related Challenges of Energy Transition
Fatemeh Rostami, Piera Patrizio, Laureano Jimenez, Carlos Pozo, Niall Mac Dowell
January 21, 2025 (v1)
Keywords: Clean energy technologies, Market contribution, Material intensity, Material requirements, Technology type
This document is supplementary information for the article titled Materials-Related Challenges of Energy Transition, submitted to the ESCAPE 35 conference. It contains the data used in the calculations and referenced in the main article.
Interval Hessian-based Optimization Algorithm for Unconstrained Non-convex Problems
Ashutosh Sharma, Gauransh Dingwani, Ishan Bajaj
January 21, 2025 (v1)
Subject: Optimization
Keywords: Interval Hessian, Line-search framework, Non-Convex optimization, Second-order optimization
The submission contains problems names with the initial guesses that were used to solve them for the reference of the reader.
Showing records 1 to 25 of 28. [First] Page: 1 2 Last
Change year: 2018 | 2019 | 2020 | 2021 | 2022 | 2023 | 2024 | 2025
Filter by month: January | February