Dynamics of Dilute Solutions of Poly(aspartic acid) and Its Sodium Salt Elucidated from Atomistic Molecular Dynamics Simulations with Explicit Water

• Published in: The journal of physical chemistry. B Vol. 117; no. 44; pp. 13906 - 13913
• Main Authors: Ramachandran, Sanoop, Katha, Anki Reddy, Kolake, Subramanya Mayya, Jung, Bokyung, Han, Sungsoo
• Format: Journal Article
• Language: English
• Published: Washington, DC American Chemical Society 07.11.2013
• Subjects: Applied sciences; Coiling; Diffusion; Dilution; Dynamic tests; Dynamics; Exact sciences and technology; Hydrogen Bonding; Hydrogen bonds; Ion pairs; Ions - chemistry; Molecular Dynamics Simulation; Organic polymers; Osmosis; Peptides - chemistry; Physicochemistry of polymers; Properties and characterization; Salts - chemistry; Sodium - chemistry; Sodium salts; Solutions - chemistry; Water - chemistry; Solvation; Atomistic model; Molecular dynamics method; Conformation; Hydrogen bond

The use of forward osmosis (FO) process for seawater desalination has attracted tremendous interest in recent years. Besides the manufacture of suitable membranes, the major technical challenge in the efficient deployment of the FO technology lies in the development of a suitable “draw solute”. Owin...