A Novel Modeling Optimization Approach for a Seven-Channel Titania Ceramic Membrane in an Oily Wastewater Filtration System Based on Experimentation, Full Factorial Design, and Machine Learning.

This comprehensive study looks at how operational conditions affect the performance of a novel seven-channel titania ceramic ultrafiltration membrane for the treatment of produced water. A full factorial design experiment (2) was conducted to study the effect of the cross-flow operating factors on the membrane permeate flux decline and the overall permeate volume. Eleven experimental runs were performed for three important process operating variables: transmembrane pressure (TMP), crossflow velocity (CFV), and filtration time (FT).

Selectivities of Carbon Dioxide over Ethane in Three Methylimidazolium-Based Ionic Liquids: Experimental Data and Modeling.

This work focused on the solubility of ethane in three promising ionic liquids {1-Hexyl-3-methylimidazolium bis(trifluormethylsulfonyl) imide [HMIM][Tf2N], 1-Butyl-3-methyl-imidazolium dimethyl-phosphate [BMIM][DMP], and 1-Propyl-3-methylimidazolium bis(trifluoromethyl-sulfonyl)-imide [PMIM][Tf2N]}. The solubilities were measured at 303.15 K to 343.

Carbon Dioxide Solubility in Three Bis Tri (Fluromethylsulfonyl) Imide-Based Ionic Liquids.

This study delves into the necessity of mitigating carbon dioxide (CO) emissions, focusing on effective capture methods to combat global warming by investigating the solubility of CO in three ionic liquids (ILs), 1-Decyl-3-MethylimidazoliumBis (Trifluromethylsulfonyl Imide) [IL1], 1-Hexadecyl-3-Methyl imidazoliumBis (Trifluromethylsulfonyl Imide) [IL2] and Triethytetradecyl Ammonium Bis (Trifluromethylsulfonyl Imide) [IL3]. Solubility experiments were conducted at (30, 50 and 70) °C with pressures up to 1.5 MPa.

Functionalization of Ordered Mesoporous Silica (MCM-48) with Task-Specific Ionic Liquid for Enhanced Carbon Capture.

This work presents new composites of AAILs@MCM-48 obtained by functionalizing ordered mesoporous silica MCM-48 with two amino acid-based ionic liquids (AAILs) ([Emim][Gly] and [Emim][Ala]) to improve carbon capture and the selectivity of CO over nitrogen. Thermogravimetric and XRD analyses of the composites showed that the MCM-48 support's thermal and structural integrity was preserved after the AAILs were encapsulated. An N adsorption-desorption study at 77 K confirmed AAIL encapsulation in the porous support.

Incorporation of Amino Acid-Functionalized Ionic Liquids into Highly Porous MOF-177 to Improve the Post-Combustion CO Capture Capacity.

This study presents the encapsulation of two amino acid-based ionic liquids (AAILs), 1-ethyl-3-methylimidazolium glycine [Emim][Gly] and 1-ethyl-3-methylimidazolium alanine [Emim][Ala], in a highly porous metal-organic framework (MOF-177) to generate state-of-the-art composites for post-combustion CO capture. Thermogravimetric analysis (TGA) demonstrated a successful encapsulation of the AAILs, with a dramatic reduction in the composites' surface areas and pore volumes. Both [Emim][Gly]@MOF-177 and [Emim][Ala]@MOF-177 had close to three times the CO uptake of MOF-177 at 20 wt.

Ni and Cu complexes of N-(2,6-dichlorophenyl)-N-mesityl formamidine dithiocarbamate structural and functional properties as CYP3A4 potential substrates.

Metal compounds continued to attract diverse applications due to their malleability in several capacities. In this study, we present our findings on the crystal structures and functional properties of Ni and Cu complexes of N'-(2,6-dichlorophenyl)-N-mesitylformamidine dithiocarbamate (L) comprising [Ni-(L)] (1) and [Cu-(L)] (2) with a four-coordinate metal center. We established the two complex structures through H and C nuclear magnetic resonance (NMR), elemental, and single-crystal X-ray analysis.

High-Frequency Pulsatile Parameterization Study for the Titania Ceramic Membrane Fouling Mitigation in Oily Wastewater Systems Using the Box-Behnken Response Surface Methodology.

In this comprehensive study, a seven-channel ultrafiltration (UF) titania membrane was used to investigate the impact of the pulsatile cleaning process on the crossflow filtration system. Seventeen experimental runs were performed for different operating conditions with a transmembrane pressure (TMP) varying from 0.5 to 1.

Experimental Investigation of the Novel Periodic Feed Pressure Technique in Minimizing Fouling during the Filtration of Oily Water Systems Using Ceramic Membranes.

Fouling represents a bottleneck problem for promoting the use of membranes in filtration and separation applications. It becomes even more persistent when it comes to the filtration of fluid emulsions. In this case, a gel-like layer that combines droplets, impurities, salts, and other materials form at the membrane's surface, blocking its pores.

On the design of sustainable antifouling system for the crossflow filtration of oily water systems: A multicontinuum and CFD investigation of the periodic feed pressure technique.

The problem of fouling is considered a major reason for deteriorating the performance of porous membranes. Even though the accumulations of materials at the membrane surface are inevitable, efforts are continuously spent to minimize their drawbacks. Several techniques have been tested to minimize the problem of fouling.

A novel antifouling technique for the crossflow filtration using porous membranes: Experimental and CFD investigations of the periodic feed pressure technique.

Oily water production is one of the many drawbacks of petroleum and several other industries. Finding effective ways for the treatment of produced water remain one of the main areas of interest in membrane sciences. Albeit the many advantages of membrane technology, they suffer from the unavoidable problem of fouling, which results from the accumulation of dispersed materials at the surface of membranes.

Semicontinuum Solvation Modeling Improves Predictions of Carbamate Stability in the CO2 + Aqueous Amine Reaction.

Quantum chemistry computations with a semicontinuum (cluster + continuum) solvation model have been used to cure long-standing misprediction of aqueous carbamate anion energies in the industrially important CO2 + aqueous amine reaction. Previous errors of over 10 kcal mol(-1) are revealed. Activation energies were also estimated with semicontinuum modeling, and a refined discussion of the competing hypothetical mechanisms for CO2 + monoethanolamine (MEA) is presented.

Molecular Dynamics Simulations of Proposed Intermediates in the CO2 + Aqueous Amine Reaction.

Ab initio molecular dynamics simulations of up to 210 ps have been performed on various aqueous intermediates postulated in the CO2 + amine reaction, important for CO2 capture. Observations of spontaneous deprotonation of aqueous carbamate zwitterions R1R2NHCOO(±) by bulk water (instead of additional amine, or via umbrella sampling) are reported apparently for the first time. Carbamic acid structures R1R2NCOOH were observed in some simulations, arising from zwitterions not via classical 1,3-H-shifts but via Grotthuss-style multiple-H(+) transfer pathways that involve bulk H2O and require carbamate anions R1R2NCOO(-) as an intermediate stage along the way.