What is it about?
How does dehydration occur, in a water wire? We answer this question by studying the natural zeolite bikitaite, which hosts one-dimensional chains of water molecules in its nanometric pores. Using ab initio molecular dynamics simulations, we show that at high temperature the water chains disassemble by losing water molecules one by one.
Why is it important?
For the first time, we reveal how dehydration occurs in water wires confined in the pores of zeolites. Our results provide a useful and general model for the study of water wires, which are extremely important in biochemistry.
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This page is a summary of: Dehydration dynamics of bikitaite: Part II. Ab initio molecular dynamics study, American Mineralogist, January 2004, Mineralogical Society of America, DOI: 10.2138/am-2004-0113.
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