A systematic review of the molecular simulation of hybrid membranes for performance enhancements and contaminant removals.

Number of research on molecular simulation and design has emerged recently but there is currently a lack of review to present these studies in an organized manner to highlight the advances and feasibility. This paper aims to review the development, structural, physical properties and separation performance of hybrid membranes using molecular simulation approach. The hybrid membranes under review include ionic liquid membrane, mixed matrix membrane, and functionalized hybrid membrane for understanding of the transport mechanism of molecules through the different structures. The understanding of molecular interactions, and alteration of pore sizes and transport channels at atomistic level post incorporation of different components in hybrid membranes posing impact to the selective transport of desired molecules are also covered. Incorporation of molecular simulation of hybrid membrane in related fields such as carbon dioxide (CO2) removal, wastewater treatment, and desalination are also reviewed. Despite the limitations of current molecular simulation methodologies, i.e., not being able to simulate the membrane operation at the actual macroscale in processing plants, it is still able to demonstrate promising results in capturing molecule behaviours of penetrants and membranes at full atomic details with acceptable separation performance accuracy. From the review, it was found that the best performing ionic liquid membrane, mixed matrix membrane and functionalized hybrid membrane can enhance the performance of pristine membrane by 4 folds, 2.9 folds and 3.3 folds, respectively. The future prospects of molecular simulation in hybrid membranes are also presented. This review could provide understanding to the current advancement of molecular simulation approach in hybrid membranes separation. This could also provide a guideline to apply molecular simulation in the related sectors.

Production of biochar from rice straw and its application for wastewater remediation - An overview.

The valorization of biochar as a green and low-cost adsorbent provides a sustainable alternative to commercial wastewater treatment technologies that are usually chemical intensive and expensive. This review presents an in-depth analysis focusing on the rice straw-derived biochar (RSB) for removal of various types of contaminants in wastewater remediation. Pyrolysis is to date the most established technology to produce biochar. Subsequently, biochar is upgraded via physical, chemical or hybrid activation/modification techniques to enhance its adsorption capacity and robustness. Thus far, acid-modified RSB is able to remove metal ions and organic compounds, while magnetic biochar and electrochemical deposition have emerged as potential biochar modification techniques. Besides, temperature and pH are the two main parameters that affect the efficiency of contaminants removal by RSB. Lastly, the limitations of RSB in wastewater remediation are elucidated based on the current advancements of the field, and future research directions are proposed.