New insights into the early stage nucleation of calcium carbonate gels by reactive molecular dynamics simulations.

Calcium Carbonate / chemistry Molecular Dynamics Simulation

Journal

The Journal of chemical physics
ISSN: 1089-7690
Titre abrégé: J Chem Phys
Pays: United States
ID NLM: 0375360

Informations de publication

Date de publication:
21 Dec 2022
Historique:
entrez: 22 12 2022
pubmed: 23 12 2022
medline: 27 12 2022
Statut: ppublish

Résumé

The precipitation of calcium carbonate (CaCO

Identifiants

DOI: 10.1063/5.0127240 PMID: 36550033
pubmed: 36550033
doi: 10.1063/5.0127240
doi:

Substances chimiques

Calcium Carbonate H0G9379FGK

Types de publication

Journal Article

Langues

eng

Sous-ensembles de citation

IM

Pagination

234501

Auteurs

Ling Qin (L)

School of Civil Engineering, Qingdao University of Technology, Qingdao 266033, China.
ORCID: 0000-0002-8646-3668

Xingtai Mao (X)

School of Civil Engineering, Qingdao University of Technology, Qingdao 266033, China.

Yifei Cui (Y)

School of Civil Engineering, Qingdao University of Technology, Qingdao 266033, China.
ORCID: 0000-0003-0787-5515

Jiuwen Bao (J)

School of Civil Engineering, Qingdao University of Technology, Qingdao 266033, China.

Gaurav Sant (G)

Institute for Carbon Management (ICM), University of California, Los Angeles, California 90095, USA.

Tiefeng Chen (T)

School of Civil Engineering, Harbin Institute of Technology, Harbin 150090, China.

Peng Zhang (P)

School of Civil Engineering, Qingdao University of Technology, Qingdao 266033, China.

Xiaojian Gao (X)

School of Civil Engineering, Harbin Institute of Technology, Harbin 150090, China.
ORCID: 0000-0003-3138-5751

Mathieu Bauchy (M)

Physics of AmoRphous and Inorganic Solids Laboratory (PARISlab), Department of Civil and Environmental Engineering, University of California, Los Angeles, California 90095, USA.
ORCID: 0000-0003-4355-3038

Articles similaires

Atomic view of photosynthetic metabolite permeability pathways and confinement in synthetic carboxysome shells.

Daipayan Sarkar, Christopher Maffeo, Markus Sutter et al.
1.00
Photosynthesis Ribulose-Bisphosphate Carboxylase Carbon Dioxide Molecular Dynamics Simulation Cyanobacteria

Drug repurposing against fucosyltransferase-2 via docking, STD-NMR, and molecular dynamic simulation studies.

Muhammad Atif, Humaira Zafar, Atia-Tul- Wahab et al.
1.00
Fucosyltransferases Drug Repositioning Molecular Docking Simulation Molecular Dynamics Simulation Humans

A head-to-head comparison of MM/PBSA and MM/GBSA in predicting binding affinities for the CB

Mei Qian Yau, Clarence W Y Liew, Jing Hen Toh et al.
1.00
Receptor, Cannabinoid, CB1 Ligands Molecular Dynamics Simulation Protein Binding Thermodynamics

Harnessing Limestone powder to enhance the thermal crack resistance of manufactured sand.

Xinting Liu, Jianda Xin, Ying Liu et al.
1.00
Calcium Carbonate Sand Powders Construction Materials Materials Testing

Classifications MeSH

questionsmedicales.fr › Produits chimiques inorganiques › Minéraux › Carbonate de calcium › New insights into the early stage nucleation...
questionsmedicales.fr › Sciences de l'information › Méthodologies informatiques › Simulation numérique › Simulation de dynamique moléculaire › New insights into the early stage nucleation...