Molecular dynamics, grand canonical Monte Carlo and expert simulations and modeling of water-acetic acid pervaporation using polyvinyl alcohol/tetraethyl orthosilicates membrane
Created by W.Langdon from
gp-bibliography.bib Revision:1.8110
- @Article{DASHTI:2018:JML,
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author = "Amir Dashti and Morteza Asghari and
Mostafa Dehghani and Mashallah Rezakazemi and Amir H. Mohammadi and
Suresh K. Bhatia",
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title = "Molecular dynamics, grand canonical {Monte Carlo} and
expert simulations and modeling of water-acetic acid
pervaporation using polyvinyl alcohol/tetraethyl
orthosilicates membrane",
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journal = "Journal of Molecular Liquids",
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volume = "265",
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pages = "53--68",
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year = "2018",
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keywords = "genetic algorithms, genetic programming,
Pervaporation, Molecular simulation, ACO, ANFIS,
PVA-TEOS membrane",
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ISSN = "0167-7322",
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DOI = "doi:10.1016/j.molliq.2018.05.078",
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URL = "http://www.sciencedirect.com/science/article/pii/S0167732217355344",
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abstract = "In this study, molecular dynamics (MD) and Monte Carlo
(MC) simulations techniques were employed as well as
artificial intelligence knowledge of ANFIS and GP to
investigate water-acetic acid pervaporation (PV)
separation through poly vinylalcohol (PVA)a silicone
based membranes under a wide range of experimental
conditions. For the first time, three new optimization
algorithms, namely ant colony optimization for
continuous domains (ACOR), differential evolution (DE)
and genetic algorithm (GA) were employed for improving
ANFIS modeling. The GP creates a mathematical function
or model for the estimation of pervaporation separation
index (PSI) as a function of the input variables.
ACOR-ANFIS and GA-ANFIS and GP had high accuracy (R2a
=a 0.9831, 0.9792 and 0.9722, respectively) but
DE-ANFIS had a lower accuracy (R2a =a 0.9610) as
compared to other models. On the other hand, molecular
simulation methods were used and the results of all
simulation models were compared fairly to each other
and to the experimental results of the literature.
Also, some characterizations were taking place to
investigate the characteristics of the simulated
membranes with MS such as WAXD, and FFV and glass
transition temperature was used to estimate the thermal
properties of the simulated membranes",
- }
Genetic Programming entries for
Amir Dashti
Morteza Asghari
Mostafa Dehghani
Mashallah Rezakazemi
Amir H Mohammadi
Suresh K Bhatia
Citations