Structure Modelling of Fluid Carbon Dioxide Using ab initio Monte Carlo-Simulation

H. Bertagnolli; C. Glania; H. Zweier; A. David

doi:10.1002/bbpc.19930970911

Structure Modelling of Fluid Carbon Dioxide Using ab initio Monte Carlo-Simulation

Berichte der Bunsengesellschaft für physikalische Chemie ◽

10.1002/bbpc.19930970911 ◽

1993 ◽

Vol 97 (9) ◽

pp. 1130-1135 ◽

Cited By ~ 5

Author(s):

H. Bertagnolli ◽

C. Glania ◽

H. Zweier ◽

A. David

Keyword(s):

Carbon Dioxide ◽

Monte Carlo Simulation ◽

Monte Carlo ◽

Ab Initio

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Analysis of Henry’s constant for carbon dioxide in water via Monte Carlo simulation

Fluid Phase Equilibria ◽

10.1016/j.fluid.2005.03.005 ◽

2005 ◽

Vol 228-229 ◽

pp. 345-356 ◽

Cited By ~ 8

Author(s):

Martin Lísal ◽

William R. Smith ◽

Karel Aim

Keyword(s):

Carbon Dioxide ◽

Monte Carlo Simulation ◽

Monte Carlo ◽

Henry's Constant

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Theoretical investigation of the enhanced solubility of perfluorobenzene in the supercritical carbon dioxide as a function of temperature and density by Monte Carlo simulation

Chemical Physics Letters ◽

10.1016/j.cplett.2007.06.116 ◽

2007 ◽

Vol 444 (1-3) ◽

pp. 48-55 ◽

Cited By ~ 5

Author(s):

Mohsen Tafazzoli ◽

Ali Khanlarkhani

Keyword(s):

Carbon Dioxide ◽

Monte Carlo Simulation ◽

Monte Carlo ◽

Supercritical Carbon Dioxide ◽

Theoretical Investigation ◽

Enhanced Solubility ◽

Supercritical Carbon

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Structures and Photoelectron Spectroscopies of Si2C2-Studied with ab Initio Multicanonical Monte Carlo Simulation

The Journal of Physical Chemistry A ◽

10.1021/jp991004x ◽

1999 ◽

Vol 103 (32) ◽

pp. 6442-6447

Author(s):

Pradipta Bandyopadhyay ◽

Seiichiro Ten-no ◽

Suehiro Iwata

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Ab Initio

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Magnetic properties and magnetoresistance effect of SnFe2O4 spinel nanoparticles: Experimental, ab initio and Monte Carlo simulation

Ceramics International ◽

10.1016/j.ceramint.2021.08.074 ◽

2021 ◽

Author(s):

O. Mounkachi ◽

L. Fkhar ◽

R. Lamouri ◽

E. Salmani ◽

A. El hat ◽

...

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Magnetic Properties ◽

Ab Initio ◽

Magnetoresistance Effect ◽

Spinel Nanoparticles

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Monte Carlo Simulation of Ab-Initio NanoCommunications From Coulomb-like Electric Forces in Bacteria Populations Chemotaxis

2018 IEEE XXV International Conference on Electronics, Electrical Engineering and Computing (INTERCON) ◽

10.1109/intercon.2018.8526433 ◽

2018 ◽

Cited By ~ 1

Author(s):

Huber Nieto-Chaupis

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Ab Initio

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Monte Carlo Simulation and Lattice Model Studies of Adsorption of Methane, Ethane, Carbon Dioxide and Their Binary and Ternary Mixtures in the Silicalite Zeolite

Adsorption and Phase Behaviour in Nanochannels and Nanotubes ◽

10.1007/978-90-481-2481-7_7 ◽

2010 ◽

pp. 147-169

Author(s):

George Manos ◽

Lawrence J. Dunne ◽

Akrem Furgani ◽

Sayed Jalili

Keyword(s):

Carbon Dioxide ◽

Monte Carlo Simulation ◽

Monte Carlo ◽

Lattice Model ◽

Ternary Mixtures ◽

Model Studies ◽

Binary And Ternary Mixtures ◽

Adsorption Of Methane

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Electronic, optical and magnetic properties of TM (Cr and Fe) doped Titania TiO2: Ab initio calculations, mean field approximation and Monte Carlo simulation

Optical and Quantum Electronics ◽

10.1007/s11082-017-0932-8 ◽

2017 ◽

Vol 49 (3) ◽

Cited By ~ 1

Author(s):

El Mehdi Salmani ◽

Ayoub Laghrissi ◽

Rachida Lamouri ◽

Mustapha Dehmani ◽

El Mostafa Benchafia ◽

...

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Magnetic Properties ◽

Ab Initio Calculations ◽

Ab Initio ◽

Mean Field ◽

Field Approximation ◽

Mean Field Approximation ◽

Optical And Magnetic Properties ◽

Doped Titania

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Prediction of thermodynamic properties of krypton by Monte Carlo simulation using ab initio interaction potentials

The Journal of Chemical Physics ◽

10.1063/1.1579671 ◽

2003 ◽

Vol 119 (2) ◽

pp. 947-952 ◽

Cited By ~ 37

Author(s):

Afshin Eskandari Nasrabad ◽

Ulrich K. Deiters

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Thermodynamic Properties ◽

Ab Initio ◽

Interaction Potentials

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Investigation of Silicon Model Nanotubes as Potential Candidate Nanomaterials for Efficient Hydrogen Storage: A Combined Ab Initio/Grand Canonical Monte Carlo Simulation Study

The Journal of Physical Chemistry C ◽

10.1021/jp805559a ◽

2008 ◽

Vol 112 (43) ◽

pp. 16725-16728 ◽

Cited By ~ 28

Author(s):

George P. Lithoxoos ◽

Jannis Samios ◽

Yannick Carissan

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Hydrogen Storage ◽

Ab Initio ◽

Simulation Study ◽

Potential Candidate ◽

Grand Canonical Monte Carlo ◽

Monte Carlo Simulation Study ◽

Grand Canonical

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Microscopic Structure and Interaction Analysis for Supercritical Carbon Dioxide−Ethanol Mixtures: A Monte Carlo Simulation Study

The Journal of Physical Chemistry B ◽

10.1021/jp810193b ◽

2009 ◽

Vol 113 (14) ◽

pp. 4781-4789 ◽

Cited By ~ 20

Author(s):

Wenhao Xu ◽

Jichu Yang ◽

Yinyu Hu

Keyword(s):

Carbon Dioxide ◽

Monte Carlo Simulation ◽

Monte Carlo ◽

Supercritical Carbon Dioxide ◽

Simulation Study ◽

Interaction Analysis ◽

Microscopic Structure ◽

Monte Carlo Simulation Study ◽

Supercritical Carbon

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