Structure of water–sulfuric acid clusters from molecular dynamics simulations


Molecular dynamics method is applied to study the structure of stable sulfuric acid–water clusters at various compositions. Also a planar liquid–vapor interface is studied. Two different potential models were used. In the simpler model, sulfuric acid (H 2 SO 4 ) remains in an undissociated state. A more realistic scheme requires that in the presence of… (More)


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