Limitation of model‐based estimations of the hydrogen adsorption capacities in nanoporous materials: A molecular simulation study

2021 ◽  
Author(s):  
Sunghyun Yoon ◽  
Yongchul G. Chung
Keyword(s):  
Molecular Simulation ◽  
Simulation Study ◽  
Hydrogen Adsorption ◽  
Nanoporous Materials ◽  
Model Based ◽  
Adsorption Capacities

Hydrogen Adsorption and Diffusion in p-tert-Butylcalix[4]arene: An Experimental and Molecular Simulation Study

2010 ◽  
Vol 16 (38) ◽  
pp. 11689-11696 ◽  
Author(s):  
Saman Alavi ◽  
Tom K. Woo ◽  
Andrew Sirjoosingh ◽  
Stephen Lang ◽  
Igor Moudrakovski ◽  
...  
Keyword(s):  
Molecular Simulation ◽  
Simulation Study ◽  
Hydrogen Adsorption ◽  
And Diffusion

scholarly journals On the Accuracy of the Sine Power Lomax Model for Data Fitting

Modelling ◽  
2021 ◽  
Vol 2 (1) ◽  
pp. 78-104
Author(s):  
Vasili B. V. Nagarjuna ◽  
R. Vishnu Vardhan ◽  
Christophe Chesneau
Keyword(s):  
Statistical Model ◽  
Simulation Study ◽  
Statistical Models ◽  
Goodness Of Fit ◽  
Data Fitting ◽  
Applied Science ◽  
Survival Distribution ◽  
Lomax Distribution ◽  
Model Based

Every day, new data must be analysed as well as possible in all areas of applied science, which requires the development of attractive statistical models, that is to say adapted to the context, easy to use and efficient. In this article, we innovate in this direction by proposing a new statistical model based on the functionalities of the sinusoidal transformation and power Lomax distribution. We thus introduce a new three-parameter survival distribution called sine power Lomax distribution. In a first approach, we present it theoretically and provide some of its significant properties. Then the practicality, utility and flexibility of the sine power Lomax model are demonstrated through a comprehensive simulation study, and the analysis of nine real datasets mainly from medicine and engineering. Based on relevant goodness of fit criteria, it is shown that the sine power Lomax model has a better fit to some of the existing Lomax-like distributions.

Monte Carlo Molecular Simulation Study of Carbon Dioxide Sequestration into Dry and Wet Calcite Pores Containing Methane

2021 ◽  
Author(s):  
Srikanth Ravipati ◽  
Mirella Simoes Santos ◽  
Ioannis G. Economou ◽  
Amparo Galindo ◽  
George Jackson ◽  
...  
Keyword(s):  
Carbon Dioxide ◽  
Monte Carlo ◽  
Molecular Simulation ◽  
Simulation Study ◽  
Carbon Dioxide Sequestration

scholarly journals Insight into the origin of SARS-CoV-2 through structural analysis of receptor recognition: a molecular simulation study

RSC Advances ◽  
2021 ◽  
Vol 11 (15) ◽  
pp. 8718-8729
Author(s):  
Jixue Sun ◽  
Meijiang Liu ◽  
Na Yang
Keyword(s):  
Molecular Dynamics ◽  
Structural Analysis ◽  
Molecular Dynamics Simulations ◽  
Molecular Simulation ◽  
Simulation Study ◽  
Receptor Recognition ◽  
Dynamics Simulations ◽  
Insight Into

The origin of SARS-CoV-2 through structural analysis of receptor recognition was investigated by molecular dynamics simulations.

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