The interaction of calcium, magnesium, lead, and cadmium cations with acidic/basic oxygen-containing groups on biochar surface: a DFT study.

Gunasinghe, S. L; Yakandawala, S. A; Ranathunga, Y. R; Perera, A. S; Liyanage, L. S. I; Gunathilake, S. R

dc.contributor.author	Gunasinghe, S. L
dc.contributor.author	Yakandawala, S. A
dc.contributor.author	Ranathunga, Y. R
dc.contributor.author	Perera, A. S
dc.contributor.author	Liyanage, L. S. I
dc.contributor.author	Gunathilake, S. R
dc.date.accessioned	2022-06-26T10:49:00Z
dc.date.available	2022-06-26T10:49:00Z
dc.date.issued	2022-06
dc.identifier.uri	http://ichemcdr.com:8080/xmlui/handle/123456789/186
dc.description	page 52	en_US
dc.description.abstract	Biochar is a carbon-rich substance that has excellent adsorptive properties due to its porous structure, large surface area, and variable surface composition. By changing the functional groups present in biochar, the absorptivity of substances to the biochar can be modified. Calcium (Ca) and magnesium (Mg) are the major cations responsible for water hardness. Lead (Pb) and cadmium (Cd) are the major hazardous metal ions released into the water by industries. All these ions have various negativ	en_US
dc.language.iso	en	en_US
dc.publisher	Institute of chemistry Ceylon	en_US
dc.relation.ispartofseries	39;1
dc.subject	density functional theory	en_US
dc.subject	Biochar	en_US
dc.subject	semiempirical	en_US
dc.subject	adsorption energies	en_US
dc.subject	normalized binding energies	en_US
dc.title	The interaction of calcium, magnesium, lead, and cadmium cations with acidic/basic oxygen-containing groups on biochar surface: a DFT study.	en_US
dc.type	Article	en_US