3 papers
cond-mat.soft2025
Chelation of the mercury ions by polyethyleneimine: Atomistic molecular dynamics study
Halyna Butovych, Jaroslav Ilnytskyi, Erkki Lahderanta +1
Contamination of water by heavy metal ions represents a significant environmental concern. Among various remediation methods, chelation has proven to be an effective technique in w…
cond-mat.soft2024
Mapping self-avoiding walk on obstacle-ridden lattice onto chelation of heavy metal ions: Monte Carlo study
V. Blavatska, Ja. Ilnytskyi, E. Lähderanta
Self-avoiding walk (SAW) represents linear polymer chain on a large scale, neglecting its chemical details and emphasizing the role of its conformational statistics. The role of th…
cond-mat.soft2024
Coagulation-flocculation process on a lattice: Monte Carlo simulations
V. Blavatska, Ja. Ilnytskyi, E. Lähderanta
Coagulation-flocculation, the physicochemical process widely used for purification a wastewater, is affected both by chemical details of involved polymers and by the statistics of…