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Molecular Dynamic Simulation of the Nucleation of Sodium and Potassium Chloride Polycrystalline Salts from an Evaporating Aqueous Solution

https://doi.org/10.2139/ssrn.4827346
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Outgoing claims: the papers this work cites, builds on, or argues with.

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Molecular Dynamics Study of Aqueous NaCl Solutions: Flash Crystallization Caused by Solution Phase Change
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VMD: Visual molecular dynamics
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Nanostructures in pharma: elixir to oral medicine
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LAMMPS - a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales
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Two-step mechanism for the nucleation of crystals from solution
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MD simulation of crystal growth of NaCl from its supersaturated aqueous solution
inferredcites →https://doi.org/10.1016/j.molliq.2019.03.076openalex-extracted
Nucleation phenomena of supersaturated KCl solutions revealing by molecular dynamic simulation: Implication of dehydration shell process
inferredcites →https://doi.org/10.1016/s0898-8838(08)60263-9openalex-extracted
Molecular Aspects on the Dissolution and Nucleation of Ionic Crystals in Water
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Structural Analysis of Molecular Materials Using the Pair Distribution Function
inferredcites →https://doi.org/10.1021/acs.jctc.9b00795openalex-extracted
Molecular Dynamics Simulations of Crystal Nucleation from Solution at Constant Chemical Potential
inferredcites →https://doi.org/10.1021/acs.jpcb.6b05291openalex-extracted
Birth of NaCl Crystals: Insights from Molecular Simulations
inferredcites →https://doi.org/10.1021/ar800217xopenalex-extracted
Nucleation of Crystals from Solution: Classical and Two-Step Models
inferredcites →https://doi.org/10.1021/ja00316a012openalex-extracted
Energy component analysis for dilute aqueous solutions of lithium(1+), sodium(1+), fluoride(1-), and chloride(1-) ions
inferredcites →https://doi.org/10.1021/ja972750nopenalex-extracted
Computer Simulation of Crystallization from Solution
inferredcites →https://doi.org/10.1021/jp512358sopenalex-extracted
Molecular Dynamics Simulation of NaCl Dissolution
inferredcites →https://doi.org/10.1021/jp9518623openalex-extracted
Calculating Electrostatic Interactions Using the Particle−Particle Particle−Mesh Method with Nonperiodic Long-Range Interactions
inferredcites →https://doi.org/10.1021/jz302065wopenalex-extracted
How Crystals Nucleate and Grow in Aqueous NaCl Solution
inferredcites →https://doi.org/10.1038/srep22918openalex-extracted
Direct Visualization of the Two-step Nucleation Model by Fluorescence Color Changes during Evaporative Crystallization from Solution
inferredcites →https://doi.org/10.1039/c0nr00628aopenalex-extracted
The two-step mechanism of nucleation of crystals in solution
inferredcites →https://doi.org/10.1039/c9ce01084jopenalex-extracted
Molecular dynamics simulation of homogeneous nucleation of supersaturated potassium chloride (KCl) in aqueous solutions
inferredcites →https://doi.org/10.1063/1.2977970openalex-extracted
Accurate determination of crystal structures based on averaged local bond order parameters
inferredcites →https://doi.org/10.1063/1.445869openalex-extracted
Comparison of simple potential functions for simulating liquid water
inferredcites →https://doi.org/10.1063/1.448118openalex-extracted
Molecular dynamics with coupling to an external bath
inferredcites →https://doi.org/10.1063/1.4766362openalex-extracted
Local order parameters for use in driving homogeneous ice nucleation with all-atom models of water
inferredcites →https://doi.org/10.1063/1.5084248openalex-extracted
Nucleation in aqueous NaCl solutions shifts from 1-step to 2-step mechanism on crossing the spinodal
inferredcites →https://doi.org/10.1103/physrevb.28.784openalex-extracted
Bond-orientational order in liquids and glasses
inferredcites →https://doi.org/10.1557/jmr.2015.109openalex-extracted
Study of the effect of grain size on melting temperature of Al nanocrystals by molecular dynamics simulation
inferredcites →https://doi.org/10.21105/joss.01824openalex-extracted
pyscal: A python module for structural analysis of atomic environments
inferredcites →https://doi.org/10.3320/978-1-931504-69-0.197openalex-extracted
Chapter 17: Batch Processes
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