Difference between revisions of "Template:Team:Groningen/CONTENT/modeling"
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|abstract=Using classical molecular dynamics, we show that poly-γ-glutamic acid can be used as a cation exchange membrane. This is done by comparing membranes made of different materials. Poly-γ-glutamic acid was parametrized in the MARTINI Coarse Grained forcefield and it was shown to aggregate in dilute water solutions. Reverse electrodialysis cell simulations were created with poly-γ-glutamic acid(PGA) and compared with cellulose and cellulose phosphate. We theorize that the cellulose does not hinder the flow of ions. While cellulose phosphate is known as a component of strong ion exchange membranes and therefore filters ions. With membranes containing an equal number of molecules, we show that PGA performs well as a cation exchange membrane.|introduction= | |abstract=Using classical molecular dynamics, we show that poly-γ-glutamic acid can be used as a cation exchange membrane. This is done by comparing membranes made of different materials. Poly-γ-glutamic acid was parametrized in the MARTINI Coarse Grained forcefield and it was shown to aggregate in dilute water solutions. Reverse electrodialysis cell simulations were created with poly-γ-glutamic acid(PGA) and compared with cellulose and cellulose phosphate. We theorize that the cellulose does not hinder the flow of ions. While cellulose phosphate is known as a component of strong ion exchange membranes and therefore filters ions. With membranes containing an equal number of molecules, we show that PGA performs well as a cation exchange membrane.|introduction= | ||
|conclusion=wiki in progress. | |conclusion=wiki in progress. | ||
| − | |references= <div class="module enumeration references">{{Team:Groningen/TEMPLATES/REFERENCE|doi=10.1111/j.1574-6968.2010.02085.x}} </div> | + | |references= <div class="module enumeration references">{{Team:Groningen/TEMPLATES/REFERENCE|author=Marvasi, Massimiliano and Visscher, Pieter T. and Casillas Martinez, Lilliam|title=Exopolymeric substances (EPS) from Bacillus subtilis: polymers and genes encoding their synthesis|journal=FEMS Microbiology Letters|number=1|pages=1-9|year=2010|doi=10.1111/j.1574-6968.2010.02085.x}} </div> |
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Revision as of 23:06, 14 September 2015
Modeling poly-γ-glutamic acid as a cation exchange membrane
Using classical molecular dynamics, we show that poly-γ-glutamic acid can be used as a cation exchange membrane. This is done by comparing membranes made of different materials. Poly-γ-glutamic acid was parametrized in the MARTINI Coarse Grained forcefield and it was shown to aggregate in dilute water solutions. Reverse electrodialysis cell simulations were created with poly-γ-glutamic acid(PGA) and compared with cellulose and cellulose phosphate. We theorize that the cellulose does not hinder the flow of ions. While cellulose phosphate is known as a component of strong ion exchange membranes and therefore filters ions. With membranes containing an equal number of molecules, we show that PGA performs well as a cation exchange membrane.
Introduction to molecular dynamics
wiki in progress.
Exopolymeric substances (EPS) from Bacillus subtilis: polymers and genes encoding their synthesis
FEMS Microbiology Letters
1
1-9
2010
<a class="field link refdoi" href="http://doi.org/10.1111/j.1574-6968.2010.02085.x">10.1111/j.1574-6968.2010.02085.x</a>