A5000533004- Calcium Carbonate Crystallization and Inhibition
- Minerals Flotation and Separation Techniques
- Computational Drug Discovery Methods
- Mine drainage and remediation techniques
- Crystallization and Solubility Studies
- Hydraulic Fracturing and Reservoir Analysis
- Hydrocarbon exploration and reservoir analysis
- Nonlinear Optical Materials Research
- Metal complexes synthesis and properties
- Corrosion Behavior and Inhibition
- Enhanced Oil Recovery Techniques
- Drug Transport and Resistance Mechanisms
- N-Heterocyclic Carbenes in Organic and Inorganic Chemistry
- Gold and Silver Nanoparticles Synthesis and Applications
- Hepatitis B Virus Studies
- Concrete Corrosion and Durability
- Magnetic and Electromagnetic Effects
- Chemical and Physical Properties in Aqueous Solutions
- Hydrogen embrittlement and corrosion behaviors in metals
- Influenza Virus Research Studies
- vaccines and immunoinformatics approaches
- Advanced biosensing and bioanalysis techniques
- Metal Extraction and Bioleaching
- Electrochemical Analysis and Applications
- Viral Infections and Outbreaks Research
The University of Queensland
2024-2025
King Fahd University of Petroleum and Minerals
2016-2023
Qatar University
2018-2022
Institute of Catalysis and Petrochemistry
2019
Shale gas is mostly made up of methane and currently being exploited in fulfilling the world's energy demands. Density Functional Theory (DFT) Molecular Dynamics (MD) techniques are employed for understanding transport pores at typical reservoir conditions. Shale, which clay quartz-like material, represented this study by a combined silica-kaolinite surface. The simulations revealed that interface formed chemical bond between silicon to two oxygen atoms from kaolinite Physisorption mode...
Transition metal complexes containing the qtpy ligand with high-energy excited states are reported. Binding studies duplex and quadruplex DNA showed a preference for Ir( iii ) as groove binders to structures.
ABSTRACT Quantum chemical calculations based on DFT are employed to study the electronic structure and binding affinity of chelators used in removal iron sulphide scales. Three chelating agents, EDTA, HEDTA, DTPA, considered this work. The complexes showed a coordination number 5, 6, 7 for Fe 2+ 3+ ions with respectively. However, regarding could coordinate an additional water molecule form seven‐coordinate complex. calculated energies agreed experimental stability constants order DTPA >...
A common problem that faces the oil and gas industry is formation of iron sulfide scale in various stages production. Recently an effective chemical formulation was proposed to remove all types scales (including pyrite), consisting a chelating agent diethylenetriaminepentaacetic acid (DTPA) at high pH using potassium carbonate (K2CO3). The aim this molecular modeling study develop insight into thermodynamics kinetics reactions during removal. cluster approach chosen mimic overall system....
The urgent need for novel antifungal drugs is underscored by the limited number of agents in clinical development and global spread fungal resistance. This study highlights potential organoselenium...
Ebola virus (EBOV) is a lethal human pathogen with risk of global spread its zoonotic infections, and Ebolavirus Zaire specifically has the highest fatality rate amongst other species. There need for continuous effort towards having therapies, as single licensed treatment to neutralize EBOV yet come into reality. This present study virtually screened MCULE database containing almost 36 million compounds against structure viral protein (VP) 35 consensus scoring both CLCDDW docking programs...
Scale prevention is a long-term challenge. It essential for ensuring the optimum utilization of oil and gas wells minimizing economic losses due to disruptions in hydrocarbon flow. Among commonly precipitated scales calcite, especially oilfield production facilities. Previous studies on scale inhibitors have focused investigating performance several phosphonates carboxylates. However, increased environmental awareness has pushed toward environmental-friendly inhibitors. Research demonstrated...
Natural gas, consisting primarily of methane, is found in carbonate reservoirs which calcite major component. However, the complexity and heterogeneity remain a challenge estimating ultimate recovery. Herein, density functional theory calculations are employed to study effect surface morphology on adsorption CH4 CaCO3 (calcite). Among 9 different symmetries considered, strongest (and consequently largest capacity) methane for 110 material. In fact, capacity this more than an order magnitude...
Abstract Iron Sulfides scale has been a critical problem for oil and gas wells several decades. One of the best candidates to remove these scales is tetrakis(hydroxymethyl)phosphonium sulfate (THPS). Most studies on dissolution iron sulfide using THPS have done at neutral or acidic medium. Such conditions lead high corrosion rate when used in tubular wells. However, this work aims give holistic view pH effect, especially alkaline medium, ability dissolving sulfides. A combined approach...
Scale deposition is a critical issue in oil and gas exploration production processes, causing significant blocking tubing consequently flow assurance economic losses. Most studies addressing the scale formation have been limited on experimental impact of different variables formation. In this work, inhibition barite was investigated by employing molecular simulations for three inhibitors, namely, polyaspartic acid (PASP), nitrilotrimethylenephosphonate (NTMP),...