Ahmad S. Darwish

Khalifa University | KU · Department of Chemical Engineering

In the flourishing field of materials science and engineering, ionic liquids (ILs) stand out for their advantageous features, unique tunable properties, and environmentally friendly attributes, making them ideal candidates for various applications. However, the enormous diversity of ILs presents a challenge that has traditionally been addressed thr...

This study employs various machine learning algorithms to model the electrical conductivity and gas sensing responses of polyaniline/graphene (PANI/Gr) nanocomposites based on a comprehensive dataset gathered from over 100 references. Artificial neural networks (ANNs) demonstrated superior predictive accuracy among the models. The investigation del...

This review presents a brief overview of the electrical and gas-sensor properties of polyaniline (PANI) and graphene-based nanocomposites with their application as gas detection materials along with underlying sensing mechanisms. Several studies have shown that graphene-based PANI gas sensors perform remarkably well at ambient temperature, energy e...

Computational methods for predicting a solvent’s performance in a given application, and for selecting an adequate solvent for that application, are becoming increasingly essential for separation processes. In this context, this article presents a first-of-a-kind machine learning tool based on guided molecular design of solvents to predict the perf...

The aim of this study is to develop an environmentally friendly and effective method for the extraction of nutritious date sugar using natural deep eutectic solvents (NADES) and ultrasound-assisted extraction (USAE). The careful design of a suitable NADES-USAE system was systematically supported by COSMO-RS screening, response surface method (RSM),...

Monosaccharides play a vital role in the human diet due to their interesting biological activity and functional properties. Conventionally, sugars are extracted using volatile organic solvents (VOCs). Deep eutectic solvents (DESs) have recently emerged as a new green alternative to VOCs. Nonetheless, the selection criteria of an appropriate DES for...

The extraction of date sugar using supercritical extraction is a process that is still in its formative stages. In this study, a comprehensive parametric analysis of the supercritical fluid extraction (SFE) process using supercritical CO 2 with water/ethanol as co-solvents was performed to achieve maximum recovery of date sugar extract. The results...

Deep eutectic solvents (DESs) are a new class of environmentally friendly solvents that have attracted the attention of many researchers. Since DESs have several practical applications in CO2 capture, knowledge of their CO2 solubility is crucial. In this study, the CO2 solubility of DESs was predicted via a multi-layer perceptron (MLP) using molecu...

Background: Corrosion is a pervasive issue in several industries, causing safety hazards and substantial economic losses. α-aminophosphonate substances have recently garnered attention for their ability to inhibit corrosion. In this study, two specific α-aminophosphonate molecules, namely diethyl(furan-2-yl(phenylamino) methyl) phosphonate (AMP1) a...

In this study, a molecular modeling approach was used to identify the most effective natural hydrophobic deep eutectic solvents (HDESs) for extracting the emerging pollutants, perfluorooctanoic acid (PFOA) and perfluorooctanesulfonic acid (PFOS) from synthetic wastewater. The use of HDESs for this purpose has not been reported in the literature,...

Interest in green neoteric solvents, such as ionic liquids (ILs) and deep eutectic solvents (DESs), has increased dramatically in recent years due to their highly tunable properties. One application that has stimulated many experimental studies is their use as green solvents in energy and heat storage. Nevertheless, their theoretically infinite che...

Over the past century, a substantial amount of research focused on developing corrosion inhibitors, with a special focus on green ‘plant-based’ corrosion inhibitors. Among the various types of inhibitors, polyphenols emerged as a promising candidate due to their advantageous characteristics, which include being inexpensive, biodegradable, renewable...

One of the most commonly used molecular inputs for ionic liquids and deep eutectic solvents (DESs) in the literature are the critical properties and acentric factors, which can be easily determined using the modified Lydersen-Joback-Reid (LJR) method with Lee-Kesler mixing rules. However, the method used in the literature is generally applicable on...

In this study, we aimed to gain molecular insights into the potential of hydrophobic deep eutectic solvents (HPDESs) as solvents for furfural extraction. To achieve this, we screened 108 HPDES constituents using the quantum chemical COSMO-RS method, saving time and resources. Moreover, the σ-profiles of the HPDES constituents were analyzed using...

Schiff base metallic complexes have received significant attention in the scientific community for their unique properties and versatile applications across various fields, including industry and biology. These complexes display various biological activities, including antiviral, cytostatic, antibacterial, anticancer, and antifungal properties. In...

The growing concern of antibiotic resistance calls for the identification of new and sustainable solutions. In this study, we employed the COSMO-RS model to select promising deep eutectic solvents (DESs) for investigating the antibacterial properties of Allium sativum L. (garlic) extract. Through computational analysis, we selected two hydrogen bon...

Deep eutectic solvents (DESs) can be used as potential solvents for various applications. However, their recovery depends on both economic and environmental considerations. In this study, the possibilities for the recovery of methyl triphenyl phosphonium bromide: triethylene glycol (MTPPB:TEG 1:4) after the application of combined dearomatization,...

Polyhydroxyalkanoates (PHAs) are an emerging type of bioplastics that have the potential to replace petroleum-based plastics. They are biosynthetizable, biodegradable, economically viable and have a range of tunable properties. Despite their great potential, the structure and properties of PHA remain unexplored due to their theoretically infinite c...

The use of biosorption as a strategy for lowering the amount of pollution caused by heavy metals is particularly encouraging. In this investigation, a low-cost and efficient biosorbent, Inula Viscosa leaves were used to remove zinc ions (Zn2+) from synthetic wastewater. A Fourier transform infrared spectroscopy experiment, a scanning electron micro...

Lithium-ion batteries (LIBs) wide usage constitutes a disposal threat to the environment. As a result, several laws are being introduced to encourage the recycling of this waste, particularly, in lithium recovery. Deep eutectic solvent (DES) has been reported as an efficient solvent in valuable metal recovery from spent LIB. However, efficient deep...

Due to their unique features, deep eutectic solvents (DESs) are well-known as promising and environmentally friendly solvents. Their use in various processes has recently become the focus of several research groups. However, designing DESs with optimal properties for a particular application requires many resources and is time-consuming. Therefore,...

Studies on deep eutectic solvents (DESs), a new class of "green" solvents, are attracting increasing attention from researchers, as evidenced by the rapidly growing number of publications in the literature. One of the main advantages of DESs is that they are tailor-made solvents, and therefore the number of potential DESs is extremely large. It is...

We present here a novel integrated approach employing machine learning algorithms for predicting thermo-physical properties of fluids. The approach allows obtaining molecular parameters to be used in the polar soft-statistical associating fluid theory (SAFT) equation of state using molecular descriptors obtained from the conductor-like screening mo...

Volatile fatty acids (VFAs) are carboxylic acids mainly produced via the fermentation of organic waste streams. Being industrial platform chemicals, sustainable, green and economical recovery of VFAs is necessary. Herein, hydrophobic deep eutectic solvents (HDES), “a new generation of water‐immiscible designer solvents”, were assessed for the recov...

New genres of ionic liquids and deep eutectic solvents (DES) have recently emerged as eco-efficient "designer's solvents". Herein, we report the liquification of the water soluble diol 2,2,4-trimehtyl-1,3-pentanediol (TMPD) into a novel hydrophobic DES with thymol or menthol, where the intrinsic supercooling properties of the constituents yielded e...

Eutectic solvents (ESs) have been extensively explored in polymer chemistry. Nevertheless, studies utilizing ESs as a constituent of biodegradable poly(diol-co-citrate) (PDCA) polyesters are lacking in the literature. In this work, we propose utilizing benzalkonium chloride (BAC) based hydrophobic eutectic solvents (HESs) as a constituent of PDCAs....

In this study, the adsorption mechanisms and interactions between the anticancer molecule Crizotinib (CZT) on the surfaces of carbon nanotubes (CNTs) and boron nitride nanotubes (BNNTs) are investigated. The investigations are carried out using the density functional theory (DFT) and the conductor-like screening model for real solvents (COSMO-RS)....

Eutectic solvents (ESs) have been extensively studied in the literature for the purification of fuels. Nevertheless, most studies investigated the extraction of a single type of aromatic from n-alkanes. In this work, aiming to provide insights about the performance of ESs in a process that mimics the multicomponent dearomatization used industrially...

The case of sustainable solvents became of great interest both academically and industrially. With research communities becoming more aware of the negative impacts of conventional organic solvents, a range of greener and more sustainable solvents have been developed to counter the harmful drawbacks associated with conventional solvents. Among these...

Based on the literature, deep eutectic solvents (DESs) have been proven to be promising candidates for the separation of aromatics or heteroaromatics (“sulfur-/nitrogen- containing aromatics”) from fuels. However, most studies investigated the separation of a single fuel impurity (aromatics or heteroaromatics) from n-alkanes. Thus, to realistically...

The interest in green and sustainable solvents has been dramatically increasing in recent years because of the growing awareness of the impact of classical organic solvents on environmental pollution and human health. As a solution to these issues, several greener and more sustainable solvents have been proposed in recent years such as the novel Hy...

In an attempt to develop an alternative process that meets the criteria of 'green' and economically sound technology in fuel purification, simultaneous extractive desulfurization, denitrification, and dearomatization using natural deep eutectic solvents (NADES) was investigated. A NADES composed of betaine (Bet) as a hydrogen bond acceptor (HBA) an...

Industrially, deep dearomatization of oil fuels is achieved via catalytic hydrodearomatization (HDA). However, this process suffers from several drawbacks. The most pronounced disadvantages are the intensive energy consumption and the low efficiency towards some aromatic species. With the aim of lowering energy consumption as well as improving the...

This work presents the development of molecular-based mathematical models for the prediction of electrical conductivity of Deep Eutectic Solvents (DESs). Two new Quantitative Structure-Property Relationship (QSPR) models based on COSMO-RS molecular charge density distributions (Sσ-profiles) were developed using data obtained from the literature. Th...

In our previous work, we showed that phosphonium-based deep eutectic solvents (DESs) are good candidates for the extractive denitrogenation of oil fuels. In particular, pyridine was successfully extracted from n-hexane and n-heptane via liquid-liquid extraction. The extraction using ‘methyltriphenylphosphonium bromide and ethylene glycol’ DES yield...

In our previous work, we showed that phosphonium-based deep eutectic solvents (DESs) are good candidates for the extractive denitrogenation of oil fuels. In particular, pyridine was successfully extracted from n-hexane and n-heptane via liquid-liquid extraction. The extraction using ‘methyltriphenylphosphonium bromide and ethylene glycol’ DES yield...