Adsorption characteristics and inhibition effect of two Schiff base compounds on corrosion of mild steel in 0.5 M HCl solution: experimental, DFT studies, and Monte …

NMEL Basiony, A Elgendy, H Nady, MA Migahed… - RSC …, 2019 - pubs.rsc.org
In this work, we report the synthesis of two Schiff bases of substituted gallic acid derivatives
via amidation reaction and their characterization using 1H-NMR spectroscopy to study their …

Performance of BEA, FAU, LTL, MFI, and MOR zeolites in the removal of ethyl mercaptan traces from natural gas by Monte Carlo molecular simulation

F Ektefa, JT Darian, S Soltanali - Applied Surface Science, 2022 - Elsevier
Selective removal of ethyl mercaptan from natural gas is presently challenge in the gas
industry. Nanoporous zeolite frameworks with different topologies have been known as the …

Adsorption onto zeolites: molecular perspective

A Salmankhani, SS Mousavi Khadem, F Seidi… - Chemical Papers, 2021 - Springer
Abstract 2D minerals are among key elements of advanced systems, but the need for
understanding their interactions/reactions with materials and systems in which they are …

[图书][B] Causality, correlation and artificial intelligence for rational decision making

T Marwala - 2015 - books.google.com
Causality has been a subject of study for a long time. Often causality is confused with
correlation. Human intuition has evolved such that it has learned to identify causality through …

Molecular simulation study of polyurethane membranes

M Rahmati, H Modarress, R Gooya - Polymer, 2012 - Elsevier
Structural, physical and separation properties of polyurethane membrane were investigated
by configuration bias grand canonical Monte Carlo and molecular dynamic methods and the …

Computer simulations for the adsorption and separation of CO 2/CH 4/H 2/N 2 gases by UMCM-1 and UMCM-2 metal organic frameworks

X Peng, X Cheng, D Cao - Journal of Materials Chemistry, 2011 - pubs.rsc.org
The adsorption of pure N2/H2/CH4/CO2 along with the adsorption and separation of
mixtures thereof in two metal organic frameworks (MOFs) of UMCM-1 and UMCM-2 have …

Monte Carlo simulation for the antiscaling performance of Gemini ionic liquids

A Elgendy, AE Elkholy, NM El Basiony… - Journal of Molecular …, 2019 - Elsevier
The formation of scale deposits is an inevitable problem in many industrial processes
including water resources such as oilfields and cooling systems. Fortunately, this problem …

The role of some cationic surfactants based on thiazine as corrosion inhibitors in petroleum applications: experimental and theoretical approach

MA Moselhy, EG Zaki, SAEH Abd El-Maksoud… - ACS …, 2022 - ACS Publications
Two cationic surfactants based on thiazine, dodecyl thiazin bromide (DTB) and hexyl thiazin
bromide (HTB), were synthesized, characterized, and investigated as corrosion inhibitors for …

Monte Carlo simulation for guar and xanthan gums as green scale inhibitors

AE Elkholy, FET Heakal, AM Rashad… - Journal of Petroleum …, 2018 - Elsevier
Scale formation is a serious problem in water systems where it causes process fouling and
interruption. Guar and xanthan gums are naturally occurring and environmentally safe …

Characterization of newly synthesized pyrimidine derivatives for corrosion inhibition as inferred from computational chemical analysis

FET Heakal, SA Rizk, AE Elkholy - Journal of Molecular Structure, 2018 - Elsevier
Corrosion of metallic constructions is a serious problem in most industries worldwide that
can be controlled via addition of special chemicals having adsorption capability on metal …