Probing the selective salt rejection behavior of thin film composite membranes: A DFT study

Journal of Membrane Science

Volumn 436, Issue , 2013, Pages 90-96

  Lo, Rabindranath ^a   Bhattacharya, Amit ^a   Ganguly, Bishwajit ^a  

^a CSIR CENTRAL SALT AND MARINE CHEMICALS RESEARCH INSTITUTE   (India)

Author keywords

Conceptual DFT; Fukui function; Global and local softness; Salt rejection; Thin film composite membranes

Indexed keywords

CONCEPTUAL DFT; FUKUI FUNCTIONS; LOCAL SOFTNESS; SALT REJECTIONS; THIN FILM COMPOSITE MEMBRANES;

CHLORINE COMPOUNDS; COMPUTATIONAL METHODS; DENSITY FUNCTIONAL THEORY; IONS; ISOMERS; POLYMERIC MEMBRANES;

COMPOSITE MEMBRANES;

1,2 PHENYLENEDIAMINE; 1,3 PHENYLENEDIAMINE; CHLORIDE; PHENYLENEDIAMINE; PIPERAZINE; SODIUM CHLORIDE; TRIMESOYL CHLORIDE; UNCLASSIFIED DRUG;

ARTICLE; CALCULATION; CELL FUNCTION; CHEMICAL REACTION; CONTROLLED STUDY; DENSITY FUNCTIONAL THEORY; FILM; ISOMER; MEMBRANE; PRIORITY JOURNAL;

EID: 84875244697     PISSN: 03767388     EISSN: 18733123     Source Type: Journal    
DOI: 10.1016/j.memsci.2013.02.025     Document Type: Article

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