Structure and Dynamics of lons at the Air/Water Interface

Abstract

1 ABSTRACT IN ENGI,IS-'J 1 Abstract in English The prcsent thesis consists of 8 publicationsl-8 in intcrnational peet rcviewed journals with u. "xt"r,l"d introduction and a detailed discussion of the content of these papers This work is divided into five toPics. o lons at the air/water interface In this section we discuss solvation structures and dynamics of selected organic and inorganic ions at the air/water interface obtained using molecular dynamics simula- tions. Surface solvation and d1,namics oí aliphatic and aromatic dicarboxylate dian. ions,formate, acetate, benzoaie, an<l phenolate is investigated Using experimental tools and IúDsimu]ations we exp1ain how surface propensity and ion pair formation can influcnce the properties of salt solutions Also, we discuss how ion pair formation and surface propensity of ions can change the trends for surface temion' which have been observed for strong electrolytes' o Organic molecules at the air/water interface N'Ío"lecular dynamics simulations have been used to describe solvation structure anrl dynamics of org.ni" molecules such DN{SO, methansulfonic acid (MSA)' and all'al bromides at thi air/water interface. Thc first part summarizm the solvation and dynamicsofDMsoandmethansulfonicacidinaqueoussolutions,showinghowthe hydrophobic part of these molecules...

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