A critical overview of current theoretical methods of estimating the energy of intramolecular interactions

M Jabłoński - Molecules, 2020 - mdpi.com
This article is probably the first such comprehensive review of theoretical methods for
estimating the energy of intramolecular hydrogen bonds or other interactions that are …

Molecular tailoring approach for the estimation of intramolecular hydrogen bond energy

MM Deshmukh, SR Gadre - Molecules, 2021 - mdpi.com
Hydrogen bonds (HBs) play a crucial role in many physicochemical and biological
processes. Theoretical methods can reliably estimate the intermolecular HB energies …

Improper Estimation of Thermodynamic Parameters in Adsorption Studies with Distribution Coefficient KD (qe/Ce) or Freundlich Constant (KF): Considerations …

HN Tran - Adsorption Science & Technology, 2022 - journals.sagepub.com
Adsorption processes often include three important components: kinetics, isotherm, and
thermodynamics. In the study of solid–liquid adsorption,“standard” thermodynamic …

Removal of captopril pharmaceutical from synthetic pharmaceutical-industry wastewaters: Use of activated carbon derived from Butia catarinensis

MR Cunha, EC Lima, DR Lima, RS da Silva… - Journal of …, 2020 - Elsevier
A high surface area activated carbon was produced from the seed of Butia catarinensis (Bc),
which was utilized for removing captopril from synthetic pharmaceutical industry …

Preparation of hybrids of wood sawdust with 3-aminopropyl-triethoxysilane. Application as an adsorbent to remove Reactive Blue 4 dye from wastewater effluents

RA Teixeira, EC Lima, AD Benetti, PS Thue… - Journal of the Taiwan …, 2021 - Elsevier
Background Biomass-based materials present low sorption capacity. In order to overcome
this disadvantage, chemical modification of these materials is required. Methods Hybrids of …

Efficient acetaminophen removal from water and hospital effluents treatment by activated carbons derived from Brazil nutshells

DR Lima, A Hosseini-Bandegharaei, PS Thue… - Colloids and Surfaces A …, 2019 - Elsevier
Activated carbons from Brazil nutshells were produced by ZnCl 2-activation at different
biomass: ZnCl 2 ratios of 1.0: 1.0 and 1.0: 1.5 at 600° C and the samples were denominated …

Single-step pyrolysis for producing magnetic activated carbon from tucumã (Astrocaryum aculeatum) seed and nickel (II) chloride and zinc (II) chloride. Application for …

PS Thue, CS Umpierres, EC Lima, DR Lima… - Journal of Hazardous …, 2020 - Elsevier
The present research describes the synthesis of new nanomagnetic activated carbon
material with high magnetization, and high surface area prepared in a single pyrolysis step …

High surface area acid-treated biochar from pomegranate husk for 2, 4-dichlorophenol adsorption from aqueous solution

E Taheri, A Fatehizadeh, EC Lima, M Rezakazemi - Chemosphere, 2022 - Elsevier
In the present study, zinc chloride (ZnCl 2) followed by acid treating was employed for the
fabrication of activated biochar from pomegranate husk (APHBC) for 2, 4-dichlorophenol (2 …

Revisiting temperature effect on the kinetics of liquid–phase adsorption by the Elovich equation: A simple tool for checking data reliability

RL Tseng, HN Tran, RS Juang - Journal of the Taiwan Institute of Chemical …, 2022 - Elsevier
Background It is recognized that temperature has a significant effect on adsorption
processes, including equilibrium and kinetics. In the past decades, the effect of temperature …

Removal of enalapril maleate drug from industry waters using activated biochar prepared from Butia capitata seed. Kinetics, equilibrium, thermodynamic, and DFT …

MR Cunha, M Naushad, M Ponce-Vargas… - Journal of Molecular …, 2023 - Elsevier
Porous biochar was fabricated from Butia capitata (Bc) seed, which was used to uptake
enalapril maleate from synthetic wastewater. Activated biochars were fabricated by blending …