This book covers theoretical aspects of adsorption, followed by an introduction to molecular simulations and other numerical techniques that have become extremely useful as an engineering tool in recent times to understand the interplay of different mechanistic steps of adsorption. .
Theory, Molecular/Mesoscopic Simulations, and Experimental Techniques of Aqueous Phase Adsorption
Jayant K. Singh and Nishith Verma
Graphene Nanopores-Based Separation of Impurities from Aqueous Medium: An insight from molecular simulation
Anitha Kommu and Jayant K. Singh
Atomistic and Experimental Modeling for Adsorption of Metal Ions With Carbon Nanotubes in Aqueous Environment
Md. Musharaf Ali, Anil Boda, Ashish Kumar Singha Deb and Pooja Sahu
Water and Aqueous Phase Adsorption in Metal-Organic Frameworks: From Experiments to Simulations
Krishna M. Gupta and Jiang Jianwen
Coating of Nanoparticles in Aqueous Solutions : Insights from Molecular Dynamics Simulations
Zuzana Benkova and M. Natalia D.S. Cordeiro
Lattice-Boltzmann Modeling of Adsorption Breakthrough in Packed Beds
Nishith Verma
Improved Removal of Toxic Contaminants in Water by Green Adsorbents Pham Thi-Huong and Byeong-Kyu Lee
Abiotic Removal with Adsorption and Photocatalytic Reaction
Chang-Tang Chang, Bor-Yann Chen,Ke-Fu Zhou, Qiao-Jie Yu,Xiao-Dan Xie, Mridula P. Menon and Arun Kumar Subramani
Revalorization of Agro-Food Residues as Bioadsorbents for Wastewater Treatment
Gassan Hodaifa, Cristina Agabo Garcia and Santiago Rodriguez-Perez
Activated Carbon: Role of Surface Chemistry in Water Purification Applications
Vivekanand Gaur