Ethylene is a key platform chemical in global manufacturing, yet its conventional production via steam cracking is highly energy-intensive and a major source of industrial CO2 emissions. This study proposes a sustainable alternative for ethylene synthesis through the electrochemical reduction of captured CO2 via alkaline electrolysis powered by intermittent offshore wind energy. A selective catalytic pathway for the CO2 reduction reaction is identified and modeled in ASPEN PLUS®, with full integration of reaction, separation, and recycle units. To address the variability in renewable energy supply, a time-variable process optimization framework is developed in Pyomo, enabling operational flexibility through integrated process planning and scheduling. Three electricity sourcing scenarios are analyzed, each representing different balances between grid and renewable power. A gate-to-gate life cycle assessment reveals a significant greenhouse gas emission reduction, with the most renewable... [more]

Contains the Aspen Plus flowsheet files and Python source code for the modelling, simulation, and optimization of a process which converts captured CO2 and electricity into ethylene, considering intermittent electricity.

A technical evaluation on the production of sustainable formaldehyde was presented in this report, including process design, advanced simulation, economic analysis, and environmental analysis. Three process configurations to produce formaldehyde were developed: a base-case with no capture of carbon, a post-combustion capture (PCC) process, which utilized 14 wt.% MEA solution-based process, and a direct air capture (DAC) route which used NaOH. Sequestered CO₂ was used as a major feedstock for methanol production via an electrocatalytic reactor (ECR), after which was converted into formaldehyde via a FORMOX process. Large-scale simulations were carried out, demonstrating a yearly methanol production capacity of approximately 62 million kilograms, with a fixed formaldehyde-to-methanol conversion ratio of 1.4 kg per kg of methanol. Economic models were developed using Aspen Process Economic Analyser, indicating that the base-case option (without capture) would involve a capital expenditure... [more]

Aspen Plus simulations for the conversion of CO2 into Formaldehyde and related processes.

GAMS models and supporting spreadsheets for Innovative Strategies in Sustainable Formaldehyde Production in Belgium: Integrating Process Optimisation, Carbon Capture, and a comprehensive Environmental Assessment.

This is the OpenLCA Database for Innovative Strategies in Sustainable Formaldehyde Production in Belgium: Integrating Process Optimisation, Carbon Capture, and a comprehensive Environmental Assessment.

This is the MATLAB source code for the SATvac (Stochastic Agent-based T-cell Vaccination) model, a stochastic agent-based framework for simulating CD8+ T cell dynamics following vaccination. This model captures main immune response phases including activation, expansion, and contraction. It also tracks T cell differentiation into effector and memory cell types and explains the variability observed in immune responses by modeling stochasticity at the single cell level.