[HTML][HTML] Classical and reactive molecular dynamics: Principles and applications in combustion and energy systems

Q Mao, M Feng, XZ Jiang, Y Ren, KH Luo… - Progress in Energy and …, 2023 - Elsevier
Molecular dynamics (MD) has evolved into a ubiquitous, versatile and powerful
computational method for fundamental research in science branches such as biology …

Co-pyrolysis of biomass and waste plastics as a thermochemical conversion technology for high-grade biofuel production: Recent progress and future directions …

BB Uzoe**wa, X He, S Wang, AEF Abomohra… - Energy conversion and …, 2018 - Elsevier
Continuous growth of human population and industrialization has increased the energy
demands all over the world and this has resulted in a number of energy related challenges …

A state-of-the-art review on dual purpose seaweeds utilization for wastewater treatment and crude bio-oil production

S Wang, S Zhao, BB Uzoe**wa, A Zheng… - Energy Conversion and …, 2020 - Elsevier
Due to the negative environmental impacts of fossil fuels and the increasing global energy
demands, biofuels are receiving increasing attention as the best short-term substitute for …

State-of-the-art co-pyrolysis of lignocellulosic and macroalgae biomass feedstocks for improved bio-oil production-A review

OA Fakayode, H Wahia, L Zhang, C Zhou, H Ma - Fuel, 2023 - Elsevier
In recent years, there have been emerging studies on develo** different techniques to
improve the properties of pyrolysis bio-oil. One of such techniques is the co-pyrolysis of …

An overview of marine macroalgae as bioresource

K Sudhakar, R Mamat, M Samykano, WH Azmi… - … and Sustainable Energy …, 2018 - Elsevier
Environmental, economic and political pressures have driven the interest towards the search
of sustainable feedstock for biofuel production. At present, macroalgae (green, brown and …

Synergistic effects of catalytic co-pyrolysis of macroalgae with waste plastics

S Xu, B Cao, BB Uzoe**wa, EA Odey, S Wang… - Process Safety and …, 2020 - Elsevier
This study unveiled the synergistic effects of catalytic co-pyrolysis of the macroalgae
(Enteromorpha prolifera) and waste plastics (HDPE) for enhanced biofuels production …

Novel carbon-based sorbents for elemental mercury removal from gas streams: A review

D Liu, C Li, J Wu, Y Liu - Chemical Engineering Journal, 2020 - Elsevier
Mercury emission, derived from natural gas exploitation, metal sintering, coal gasification
and combustion, gold mining, etc., has posed great threaten to the environment and human …

Molecular insight into pyrolysis processes via reactive force field molecular dynamics: A state-of-the-art review

G Li, F Zheng, Q Huang, J Wang, B Niu, Y Zhang… - Journal of Analytical and …, 2022 - Elsevier
Molecular simulations based on reactive force-fields (ReaxFF) have been applied as a
powerful tool for exploring the pyrolysis process of complex carbonaceous materials. It can …

Characteristics of algae-derived biochars and their sorption and remediation performance for sulfamethoxazole in marine environment

M Zhao, X Ma, X Liao, S Cheng, Q Liu, H Wang… - Chemical Engineering …, 2022 - Elsevier
The performance of algae-derived biochars (ABCs) on sorption and remediation of antibiotic
pollution in marine environment is poorly understood. A batch of biochars were produced …

Advances in multiscale modeling of lignocellulosic biomass

PN Ciesielski, MB Pecha, AM Lattanzi… - ACS Sustainable …, 2020 - ACS Publications
Applications and associated processing technologies of lignocellulosic biomass are
becoming increasingly important as we endeavor to meet societal demand for fuels …