Economic and environmental analysis of isopropanol-acetone-hydrogen based chemical heat pump (IAH-CHP) were studied at the endothermic reaction temperatures (heat input) of 100°C-200°C at gross temperature lifts of 50°C, 75°C and 100°C and heat output capacity of 500 kW.
Attached files are the following:
Equipment cost correlations along with key parameter values used in economic analysis.
List of ecoinvent processes used in Life cycle assessment studies.
Sample economic calculation file for 130°C/205°C case.
Optimization results - decision variable values along with cost details for all the cases studied.

This supplementary material provides supporting methodological and numerical information for the study of uncertainty-aware fleet planning for heavy-duty freight. It expands on the construction of the case study, including the truck technologies, route characteristics, freight classes, operating scenarios, and economic and environmental assumptions used in the stochastic optimization model.
The document also provides additional formulation details, data tables, computational settings, and supporting analyses needed to interpret and reproduce the results. Together, these materials complement the main manuscript by documenting assumptions and calculations that could not be included in the article because of space limitations.

Supporting Information document to submission for Foundations of Computer Aided Process Operations - Chemical Process Control Conference 2027

Recent research has introduced large language model (LLM)-based chatbots to help practitioners interpret solutions of optimization models. Existing chatbots primarily support the interpretation of a solution obtained from a single solve. In rolling horizon optimization, however, practitioners need to understand how and why solutions change across successive solves as the planning window advances and changes occur in model data and/or structure. We present an LLM-based agentic framework for this comparison task, works for time-indexed linear programming (LP) and mixed-integer linear programming (MILP) models represented in Pyomo. Four deterministic analytical modules detect model changes, quantify solution differences, assess whether prior decisions remain feasible under the updated model, and and links differences between successive plans to changes in model parameters and structure. LLM agents interpret user questions, select the corresponding module, and synthesize its numerical resu... [more]

This document presents the objective functions for the deterministic case study and the reformulated stochastic model, along with the tables and data used in the modeling process.

Contains 337 original peer-reviewed research articles presented at the 36th European Symposium on Computer Aided Process Engineering (ESCAPE 36) in Sheffield, UK. Subject categories include CAPE in Circular Economy, CAPE in Clean Energy Systems, CAPEing with Uncertain Futures, Pharmaceutical & Biotechnological Systems, Modelling & Simulation, Concepts, Methods & Tools, Process Design, Scheduling & Optimisation, Process Control & Operation, Education, and Knowledge Transfer & Entrepreneurship.

Biomethane can serve as an alternative to fossil fuels. Pipeline and compressor infrastructure must be built to enable the feed-in of biomethane from decentralized production sites into the existing gas network. Costs can be reduced by sharing this transport infrastructure among individual biogas plant operators. To find the cost-optimal layout, a mixed integer linear programming (MILP) problem is formulated. The model is expanded to show the effect of considering not only pipe cost but also compressor cost in the objective. It is applied to an Austrian region to find the optimal network for 14 biogas plants. After optimization, two allocation methods for sharing investment costs among biogas plants are explored: an equal cost approach and a volumetric share approach. Optimal network topology changes due to the modified objective, resulting in significant cost savings of 9 % for the total region and 19 % for a subregion. Investment costs for individual biogas plant operators vary widel... [more]

With the increasing share of volatile renewable energies, there is a growing need for flexible storage systems to balance fluctuations between generation and demand. Multi-energy systems, featuring battery and hydrogen storage systems, provide an efficient and scalable solution for this purpose. While rule-based control is primarily used in industry, model predictive control (MPC) is considered the most promising strategy for cost-optimized and safe operation. The performance of such controllers depends heavily on the capacities, power rates, and degradation behavior of the storage systems; for hydrogen systems, it can also depend on minimum switch-on/off times and ramping rates. This work aims to use sensitivity analysis to quantify the influence of variations in these component parameters on control quality. To this end, a lab-scale battery-hydrogen storage system (TU Wien) is modeled and operated using MPC to minimize grid exchange and thus increase self-sufficiency. Experimental da... [more]

Heat Pumps (HPs) can play a vital role in the decarbonization of heating in industry. The performance of a HP strongly depends on the refrigerant, the working fluid within the HP. In order to maximize HP performance, systematic selection of the refrigerant is key. Refrigerant choice affects the very feasibility of employing a HP to deliver heating to a process. A flexible and robust method is required to select refrigerants that are the best fit for a given heating application. A computer-aided molecular & process design (CAMPD) method is developed to design the optimal refrigerant that is tailored to process needs. The method is applied to three case studies across which the HP performance objectives and constraints, and heat source and heat sink temperatures are varied. In addition, the design of refrigerants with low (<150) global warming potentials and zero ozone depletion potentials is investigated. For all applications across all case studies, the CAMPD approach successfully iden... [more]