Solvation of dimethyl succinate in a sodium hydroxide aqueous solution. A computational study.

@article{Sun2009SolvationOD,
  title={Solvation of dimethyl succinate in a sodium hydroxide aqueous solution. A computational study.},
  author={Xiuquan Sun and Tsun-Mei Chang and Yuanpeng Cao and Satomi Niwayama and William L. Hase and Liem X. Dang},
  journal={The journal of physical chemistry. B},
  year={2009},
  volume={113 18},
  pages={6473-7}
}
Molecular dynamics simulations were carried out to study dimethyl succinate/water/NaOH solutions. The potential of mean force method was used to determine the transport mechanism of a dimethyl succinate (a diester) molecule across the aqueous/vapor interface. The computed number density profiles show a strong propensity for the diester molecules to congregate at the interface, with the solubility of the diester increasing with increasing NaOH concentration. It is observed that the major… CONTINUE READING
1 Citations
0 References
Similar Papers

Similar Papers

Loading similar papers…