32 citations · 46 across the 4 of their papers we have counts for
4 papers
Decoupling Precipitation and Surface Complexation during Mn(II) Removal by Biochar via Experiments and Atomistic Simulations
Audrey Ngambia, Anastasiia Gavrilova, Haitao Huang +4
Manganese(II) mobilised by mining activity poses a persistent water-quality challenge, yet the mechanisms by which low-cost sorbents, such as biochar, sequester Mn(II) remain poorl…
Unravelling 2,4-D -- biochar interactions by molecular dynamics: adsorption modes and surface functionalities
Rosie Wood, Ondřej Mašek, Valentina Erastova
We report a molecular dynamics investigation of 2,4-dichlorophenoxyacetic acid (2,4-D) adsorption at the aqueous-biochar interface using experimentally constrained woody biochar mo…
Biochars at the molecular level. Part 2 -- Development of realistic molecular models of biochars
Rosie Wood, Ondrej Masek, Valentina Erastova
Biochars have been attracting renewed attention as economical and environmentally friendly carbon sequestration materials with a diverse range of applications. However, experimenta…
Biochars at the molecular level. Part 1 -- Insights into the molecular structures within biochars
Rosie Wood, Ondrej Masek, Valentina Erastova
Biochars are black carbonaceous solids produced through biomass pyrolysis under conditions of little or no oxygen. Whilst their properties are well studied, and their applications…