DFT Investigations and Experimental Studies for Competitive and Adsorptive Removal of Two Cationic Dyes onto an Eco-friendly Material from Aqueous Media

Theoretical (DFT) and experimental studies on multiple hydrogen bonded liquid crystals comprising between aliphatic and aromatic acids

(2017) S. Sundaram et al.   JOURNAL OF MOLECULAR LIQUIDS

Competitive adsorption of ternary dye mixture using pine cone powder modified with β-cyclodextrin

(2017) Sushanta Debnath et al.   JOURNAL OF MOLECULAR LIQUIDS

Structural, spectral analysis of ambroxol using DFT methods

(2017) P. Rajesh et al.   JOURNAL OF MOLECULAR STRUCTURE

Hexagonal-Nb 2 O 5 /Anatase-TiO 2 mixtures and their applications in the removal of Methylene Blue dye under various conditions

(2017) Nathália P. Ferraz et al.   MATERIALS CHEMISTRY AND PHYSICS

Density functional theory study of defects in unalloyed δ-Pu

(2017) S.C. Hernandez et al.   SCRIPTA MATERIALIA

Multi-response optimization of ultrasound assisted competitive adsorption of dyes onto Cu (OH) 2 -nanoparticle loaded activated carbon: Central composite design

(2017) Somayeh Dashamiri et al.   ULTRASONICS SONOCHEMISTRY

Screening and optimization of highly effective ultrasound-assisted simultaneous adsorption of cationic dyes onto Mn-doped Fe 3 O 4 -nanoparticle-loaded activated carbon

(2017) Arash Asfaram et al.   ULTRASONICS SONOCHEMISTRY

Hydrogen bonded dimers of small alkyl substituted amides: Structures, energetics, and spectral analyses based on density functional theory calculations

(2017) Zhi-Yong Zeng et al.   Computational and Theoretical Chemistry

Experimental and theoretical study using DFT method for the competitive adsorption of two cationic dyes from wastewaters

(2016) Abdelmajid Regti et al.   APPLIED SURFACE SCIENCE

Bio-waste derived adsorbent material for methylene blue adsorption

(2016) Pathpireddy Manoj Kumar Reddy et al.   Journal of the Taiwan Institute of Chemical Engineers

Equilibrium, kinetic and thermodynamic studies of a new potential biosorbent for the removal of Basic Blue 3 and Congo Red dyes: Pineapple ( Ananas comosus ) plant stem

(2016) Siew-Ling Chan et al.   Journal of the Taiwan Institute of Chemical Engineers

Adsorption removal of zinc (II) from aqueous phase by raw and base modified Eucalyptus sheathiana bark: Kinetics, mechanism and equilibrium study

(2016) Sharmeen Afroze et al.   PROCESS SAFETY AND ENVIRONMENTAL PROTECTION

Investigation of heavy metal atoms adsorption onto graphene and graphdiyne surface: A density functional theory study

(2016) A. Hamed Mashhadzadeh et al.   SUPERLATTICES AND MICROSTRUCTURES

Density functional theory calculations on oxygen adsorption on the Cu2O surfaces

(2015) Xiaohu Yu et al.   APPLIED SURFACE SCIENCE

Adsorptive removal of basic dyes from aqueous solutions by surfactant modified bentonite clay (organoclay): Kinetic and competitive adsorption isotherm

(2015) T.S. Anirudhan et al.   PROCESS SAFETY AND ENVIRONMENTAL PROTECTION

Isotherm and kinetics study of malachite green adsorption onto copper nanowires loaded on activated carbon: Artificial neural network modeling and genetic algorithm optimization

(2015) M. Ghaedi et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

Understanding the participation of 3-nitropyridine in polar Diels–Alder reactions. A DFT study

(2015) Carla M. Ormachea et al.   Computational and Theoretical Chemistry

Dye and its removal from aqueous solution by adsorption: A review

(2014) Mustafa T. Yagub et al.   ADVANCES IN COLLOID AND INTERFACE SCIENCE

Equilibrium and kinetic studies of C.I. Basic Blue 41 adsorption onto N, F-codoped flower-like TiO2 microspheres

(2013) Yinhua Jiang et al.   APPLIED SURFACE SCIENCE

Biochars prepared from anaerobic digestion residue, palm bark, and eucalyptus for adsorption of cationic methylene blue dye: Characterization, equilibrium, and kinetic studies

(2013) Lei Sun et al.   BIORESOURCE TECHNOLOGY

Adsorption of Direct Blue 53 dye from aqueous solutions by multi-walled carbon nanotubes and activated carbon

(2013) Lizie D.T. Prola et al.   JOURNAL OF ENVIRONMENTAL MANAGEMENT

Calcined eggshells as a new biosorbent to remove basic dye from aqueous solutions: Thermodynamics, kinetics, isotherms and error analysis

(2013) Rachid Slimani et al.   Journal of the Taiwan Institute of Chemical Engineers

Calcined mussel shells as a new and eco-friendly biosorbent to remove textile dyes from aqueous solutions

(2013) Mohammadine El Haddad et al.   Journal of the Taiwan Institute of Chemical Engineers

2-Alkoxy- and 2-alkylthio-2-alkenals in the reactions of electrophilic and nucleophilic addition. DFT study and NBO analysis

(2013) Natalia A. Keiko et al.   TETRAHEDRON

Equilibrium, Kinetics, and Thermodynamics of Methylene Blue Adsorption by Pine Tree Leaves

(2012) Mustafa T. Yagub et al.   WATER AIR AND SOIL POLLUTION

Elimination of dyes from aqueous solutions using iron oxides and chitosan as adsorbents: a comparative study

(2009) Silvina Pirillo et al.   QUIMICA NOVA

Snail shell as coagulant aid in the alum precipitation of malachite green from aqua system

(2008) Nurudeen A. Oladoja et al.   JOURNAL OF HAZARDOUS MATERIALS