Aug 2026· Chemical product and process modeling· Vol 21, pp. 539 - 561· 0 citations· 16 references
Abstract
Abstract This study presents a sustainable and simulation-driven production process for ε-caprolactam (CPL) using phenol as a feedstock, offering a green and economically viable alternative to conventional benzene-based routes. The process integrates three catalytic stages – Pt/SiO2-mediated hydrogenation, TS-1-catalyzed ammoximation, and oleum-assisted Beckmann rearrangement – all modeled and optimized in Aspen Plus. The optimized configuration achieves a CPL yield of 68 %, reduces CO2 emissions by 30 %, and lowers total energy consumption by 12 % through integrated heat recovery. Additionally, wastewater treatment enables 60 % water reuse. Techno-economic analysis confirms commercial viability, with a Net Present Value (NPV) of BND 8.2 million and a payback period of 3.9 years for an 80,000-ton/year plant. This work delivers a validated and modular framework for CPL production aligned with circular economy principles. Future research will focus on process intensification, bio-based phenol utilization, and deployment of green hydrogen sources for full lifecycle decarbonization.
This study presents a process-level techno-economic analysis of solidified natural gas (SNG) production via clathrate hydrate formation, evaluating three configurations ─ pure methane (sI), methane-THF (sII), and methane-1,3-dioxolane (sII) ─ at a feed capacity of 0.13 MMTPA. Process simulations were developed in Asp...
Y. Tor, P. Babu, Nagu Daraboina· Energy & Fuels· 0 citations
This study presents an integrated and sustainable approach for the valorization of polystyrene (PS) plastic waste into methanol, contributing to circular carbon utilization and waste-to-fuel strategies. Two simulation models were developed in Aspen plus. In Case 1, PS is converted to syngas through steam gasification,...
Ethylene oxide (EO) is an essential chemical intermediate, but challenges stem from its transportation and storage, as well as its conventional production involving hazardous EO/O2 mixtures. Alternative EO production routes were assessed, which resulted in a safer, small-scale (15 kta) process based on ethanol dehydr...
Russell Anawan, Ilja W. Ekker, Andra Ferbei et al.· Industrial & Engineering...· 0 citations
The increasing adoption of electric vehicles in Thailand is expected to reduce domestic gasohol demand, thereby negatively impacting the bioethanol industry. To address this challenge, this study analyzed the techno-economic performance of diethyl carbonate (DEC) production via oxidative carbonylation of bioethanol, gi...
Hydrothermal liquefaction (HTL) is a promising approach that converts lignin into oxygenated aromatics, which serve as precursors of phenolic resins and sustainable aviation fuel (SAF) blendstock. However, its rigorous modeling and evaluation remain underexplored due to complexities in reaction mechanisms. Here, we i...
Yi-Ming Chen, Wei-En Huang, Bor-Yih Yu· Energy & Fuels· 0 citations
We use cookies to run the site and, with your consent, for analytics and to show ads.
See our Cookie Policy.
