Noor e HiraUniversiti Teknologi PETRONAS | UTP · Department of Chemical Engineering
Noor e Hira
Master of Science
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Citations since 2017
Introduction
Publications
Publication (1)
In recent years, simulation studies have emerged as valuable tools for understanding processes. In particular, molecular dynamic simulations hold great significance when it comes to the adsorption process. However, comprehensive studies on molecular simulations of adsorption processes using different adsorbents are scarcely available for wastewater...
Questions
Questions (3)
are compounds physically attached in modification or chemical bonding is also there
I am getting zero sorption loading for metal oxides that are good adsorbents according to literature. Can any body guide me about exact detailed steps to perform sorption calculations.
I am studying different adsorbents on Material Studio. I want to understand the simulation phenomenon at molecular level that how does molecular simulation is used to study molecules and adsorption capacity. Meanwhile, I also want to study the effect of operating parameters like effect of pH and temperature on adsorbents. Can you help me explain that how can I study effect of pH on Material Studio?
