Works matching DE "GIBBS' free energy"

Results: 3323

In-Silico Molecular Docking and ADMET Prediction of Natural Compounds In Oncom.

Published in:

Tropical Journal of Natural Product Research, 2025, v. 9, n. 5, p. 2167, doi. 10.26538/tjnpr/v9i5.42

By:

Kartika, Irma R.;
Syach, Azhar A.;
Larasati, Diajeng;
Pitaloka, Shabrina A.;
Octaviany, Sheila N.;
Kurniadewi, Fera;
Dianhar, Hanhan;
Saputra, Irwan;
Nurjayadi, Muktiningsih;
Syaadah, Rika S.;
Namirah, Irah

Publication type:

Article

Process modelling for the production of hydrogen-based direct reduced iron in shaft furnaces using different ore grades.

Published in:

Ironmaking & Steelmaking, 2025, v. 52, n. 1, p. 3, doi. 10.1177/03019233241254666

By:

Shahabuddin, M.;
Rahbari, Alireza;
Sabah, Shabnam;
Brooks, Geoffrey;
Pye, John;
Rhamdhani, M. Akbar

Publication type:

Article

Microwave Pre-Treatment for Efficient Zinc Recovery via Acid Leaching.

Published in:

Materials (1996-1944), 2025, v. 18, n. 11, p. 2496, doi. 10.3390/ma18112496

By:

Kenzhaliyev, Bagdaulet;
Berkinbayeva, Ainur;
Smailov, Kenzhegali;
Baltabekova, Zhazira;
Saulebekkyzy, Shynar;
Tolegenova, Nazerke;
Yessengaziyev, Azamat;
Bakhytuly, Nauryzbek;
Tugambay, Symbat

Publication type:

Article

Evaluating Theoretical Solvent Models for Thermodynamic and Structural Descriptions of Dacarbazine–Cyclodextrin Complexes. The Theoretical and Conductometric Study.

Published in:

Molecules, 2025, v. 30, n. 11, p. 2309, doi. 10.3390/molecules30112309

By:

Kinart, Zdzisław;
Hoelm, Marta;
Imińska, Martyna

Publication type:

Article

Thermodynamics and the Fuel Qualities of Produced Biodiesel From Nonedible Biomaterials: RStudio and Central Composite Design Approach.

Published in:

Energy Science & Engineering, 2025, v. 13, n. 6, p. 3276, doi. 10.1002/ese3.70102

By:

Iweka, Sunday C.;
Chukwuneke, Jeremiah L.;
Chinwuko, Emmanuel Chuka

Publication type:

Article

Experimental study on response characteristics of coal adsorption and desorption under electric field enhancement.

Published in:

Energy Sources Part A: Recovery, Utilization & Environmental Effects, 2025, v. 47, n. 1, p. 9827, doi. 10.1080/15567036.2021.1958029

By:

Lei, Dongji;
Wang, Yajuan;
Meng, Hui;
Ma, Shuai;
Ma, Tao;
Yan, Linxiao

Publication type:

Article

Adsorption and thermodynamic studies of the corrosion Inhibition effect of Desmodium adscendens (Swartz) extract on carbon steel in 2 M HCl.

Published in:

BMC Chemistry, 2025, v. 19, n. 1, p. 1, doi. 10.1186/s13065-025-01541-y

By:

Adamu, Awwal Abdullahi;
Iyun, Ogunkemi Risikat Agbeke;
Habila, James Dama

Publication type:

Article

The Influence of Alkaline Earth Metal Cations on the Performance of Platinum Electrodes during Brine Electrolysis.

Published in:

ChemSusChem, 2025, v. 18, n. 11, p. 1, doi. 10.1002/cssc.202402780

By:

Fraga Alvarez, Daniela V.;
Bushiri, Daniela A.;
Schuchert, Maya;
Burga, Bernardo;
Piatt Price, Abbey;
Baxter, Amanda F.;
Esposito, Daniel V.;
Carneiro, Juliana S. A.

Publication type:

Article

Solubility of 5-nitroisophthalic acid in pseudo-binary mixtures containing water and betaine-based deep eutectic solvents: effect of benzene ring substituents in the benzene carboxylic acid-based compounds on their solubility values.

Published in:

BMC Chemistry, 2025, v. 19, n. 1, p. 1, doi. 10.1186/s13065-025-01533-y

By:

Jafari, Parisa;
Barzegar-Jalali, Mohammad;
Hemmati, Salar;
Jouyban, Abolghasem

Publication type:

Article

Phase Structure of Holographic Superconductors With Spontaneous Scalarization.

Published in:

Astronomische Nachrichten, 2025, v. 346, p. 1, doi. 10.1002/asna.20240145

By:

Guo, Hong;
Qian, Wei‐Liang;
Wang, Bean

Publication type:

Article

Insights into Pd-Nb@In 2 Se 3 Electrocatalyst for High-Performance and Selective CO 2 Reduction Reaction from DFT.

Published in:

Inorganics, 2025, v. 13, n. 5, p. 146, doi. 10.3390/inorganics13050146

By:

Ju, Lin;
Tang, Xiao;
Zhang, Yixin;
Chen, Mengya;
Liu, Shuli;
Long, Chen

Publication type:

Article

Research on a Reductive Deep Chlorine Removal Process for Breaking Through the Solid Film Barrier.

Published in:

Applied Sciences (2076-3417), 2025, v. 15, n. 10, p. 5673, doi. 10.3390/app15105673

By:

Li, Rui;
Wen, Ailin;
Li, Jing

Publication type:

Article

Facile Synthesis and Characterization of Trimetallic CuCrFe‐BTC MOF for the Adsorptive Removal of Diamond Green G: Kinetic, Isotherm, and Thermodynamic Study.

Published in:

Applied Organometallic Chemistry, 2025, v. 39, n. 6, p. 1, doi. 10.1002/aoc.70189

By:

Umar, Ali;
Alam, Sultan;
Zaman, Hira;
Zahoor, Muhammad;
Ullah, Riaz;
Ali, Essam A.;
Umar, Muhammad Naveed

Publication type:

Article

Nonylphenol Removal from Water and Wastewater with Alginate-Activated Carbon Beads.

Published in:

Separations (2297-8739), 2025, v. 12, n. 5, p. 103, doi. 10.3390/separations12050103

By:

Chacon, Angelica A.;
Noriega Landa, Elizabeth;
Yin, Sheng;
Habib, Ahsan;
Holbrook, Kiana L.;
Duran Bojorquez, Luis R.;
Badmos, Sabur;
Villagrán, Dino;
Lee, Wen-Yee

Publication type:

Article

Practical Aspects of the Analysis of Thermal Dissociation and Pyrolysis Processes in Terms of Transition State Theory.

Published in:

Energies (19961073), 2025, v. 18, n. 10, p. 2619, doi. 10.3390/en18102619

By:

Mianowski, Andrzej;
Szul, Mateusz

Publication type:

Article

Kinetic Analysis of Construction, Renovation, and Demolition (CRD) Wood Pyrolysis Using Model-Fitting and Model-Free Methods via Thermogravimetric Analysis.

Published in:

Energies (19961073), 2025, v. 18, n. 10, p. 2496, doi. 10.3390/en18102496

By:

Ganesan, Aravind;
Barnabé, Simon;
Bareha, Younès;
Langlois, Simon;
Rezazgui, Olivier;
Boussabbeh, Cyrine

Publication type:

Article

Kinetics and Thermodynamics of Pb(II), Zn(II), and Cd(II) Adsorption from Aqueous Solutions onto Activated Biochar Obtained from Tobacco Waste.

Published in:

Materials (1996-1944), 2025, v. 18, n. 10, p. 2324, doi. 10.3390/ma18102324

By:

Jabłońska, Beata;
Jabłoński, Paweł;
Gęga, Jerzy

Publication type:

Article

Computational study of bisphenol A adsorption on reduced graphene oxide: interactions, energies, pH effects, and adsorption mechanisms.

Published in:

Journal of Nanoparticle Research, 2025, v. 27, n. 5, p. 1, doi. 10.1007/s11051-025-06318-x

By:

Silva, Thiago Soares;
Bihain, Murielly Fernanda Ribeiro;
dos Santos Pereira, Anna Karla;
Pereira, Douglas Henrique

Publication type:

Article

ТЕРМОДИНАМИЧЕСКИЙ АНАЛИЗ ВЗАИМОДЕЙСТВИЙ МЕЖДУ КОМПОНЕНТАМИ ШИХТЫ В ПРОЦЕССЕ ПОЛУЧЕНИЯ МЕТАЛЛУРГИЧЕСКОГО КРЕМНИЯ.

Published in:

News of Kazakhstan Science / Novosti nauki Kazahstana, 2024, n. 3, p. 30, doi. 10.53939/1560-5655_2024_3_30

By:

А. З., Дантаева;
М. Б., Ибраев;
Г. И., Султамурат

Publication type:

Article

Propagation and attenuation of sound waves in partially ionised and dissociated plasma flows.

Published in:

Journal of Fluid Mechanics, 2025, v. 1011, p. 1, doi. 10.1017/jfm.2025.357

By:

Rapisarda, Claudio;
McGilvray, Matthew;
di Mare, Luca

Publication type:

Article

Filler flocculation in elastomer blends - an approach based on measured surface tensions and monte carlo simulation.

Published in:

Soft Materials, 2019, v. 17, n. 3, p. 283, doi. 10.1080/1539445X.2019.1568261

By:

Gundlach, Norman;
Hentschke, Reinhard;
Karimi-Varzaneh, Hossein Ali

Publication type:

Article

Simulating the Physiological Phase of Hydrated DPPC Bilayers: The Ester Moiety.

Published in:

Soft Materials, 2004, v. 2, n. 1, p. 27, doi. 10.1081/SMTS-120030764

By:

Chandrasekhar, Indira;
Oostenbrink, Chris;
van Gunsteren, WilfredF.

Publication type:

Article

Application of the double-tangent construction of coexisting phases to Any Type of Phase Equilibrium For Binary Systems Modeled With the Gamma-Phi Approach.

Published in:

CEE: Chemical Engineering Education, 2014, v. 48, n. 1, p. 42

By:

Jaubert, Jean-Noël;
Privat, Romain

Publication type:

Article

VAPOR-LIQUID EQUILIBRIA.

Published in:

CEE: Chemical Engineering Education, 2010, v. 44, n. 3, p. 236

By:

OLAYA, MARIA DEL MAR;
REYES-LABARTA, JUAN A.;
SERRANO, MARIA DOLORES;
MARCILLA, ANTONIO

Publication type:

Article

A GRAPHICAL REPRESENTATION.

Published in:

CEE: Chemical Engineering Education, 2010, v. 44, n. 3, p. 208

By:

BOOK, NEIL L.;
SITTON, OLIVER C.

Publication type:

Article

Microstructure development and nanoindentation behaviour of annealed Ni-P-Ti coatings.

Published in:

Surface Engineering, 2021, v. 37, n. 4, p. 527, doi. 10.1080/02670844.2020.1794212

By:

Li, Zhi;
Farhat, Zoheir

Publication type:

Article

Characterisation of multiphase ceramic coatings fabricated via laser in situ reaction technology.

Published in:

Surface Engineering, 2018, v. 34, n. 4, p. 301, doi. 10.1080/02670844.2017.1315484

By:

Chen, Yong;
Hu, Liangbin;
Qiu, Changjun;
Huang, Qing

Publication type:

Article

Reactivity of [AuF3(SIMes)]: Pathway to Unprecedented Structural Motifs.

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 51, p. 1, doi. 10.1002/chem.202301684

By:

Winter, Marlon;
Ellwanger, Mathias A.;
Limberg, Niklas;
Pérez‐Bitrián, Alberto;
Voßnacker, Patrick;
Steinhauer, Simon;
Riedel, Sebastian

Publication type:

Article

The Unified Redox Scale for All Solvents: Consistency and Gibbs Transfer Energies of Electrolytes from their Constituent Single Ions.

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 46, p. 1, doi. 10.1002/chem.202300609

By:

Radtke, Valentin;
Priester, Denis;
Heering, Agnes;
Müller, Carina;
Koslowski, Thorsten;
Leito, Ivo;
Krossing, Ingo

Publication type:

Article

Insight into the Mechanism of Cd2+ Removal by MgAl Layered Double Hydroxides with Different Host‐Guest Interactions.

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 37, p. 1, doi. 10.1002/chem.202300050

By:

Li, Qian;
Wu, Zhaohui;
Bai, Sha;
Liu, Yingjie;
Li, Jiaxin;
Song, Yu‐Fei

Publication type:

Article

Measurements and Utilization of Consistent Gibbs Energies of Transfer of Single Ions: Towards a Unified Redox Potential Scale for All Solvents.

Published in:

Chemistry - A European Journal, 2022, v. 28, n. 40, p. 1, doi. 10.1002/chem.202200509

By:

Radtke, Valentin;
Gebel, Niklas;
Priester, Denis;
Ermantraut, Andreas;
Bäuerle, Monika;
Himmel, Daniel;
Stroh, Regina;
Koslowski, Thorsten;
Leito, Ivo;
Krossing, Ingo

Publication type:

Article

Origin of the Rate Acceleration in the C−C Reductive Elimination from Pt(IV)‐complex in a [Ga4L6]12− Supramolecular Metallocage.

Published in:

Chemistry - A European Journal, 2021, v. 27, n. 64, p. 15973, doi. 10.1002/chem.202102250

By:

Norjmaa, Gantulga;
Maréchal, Jean‐Didier;
Ujaque, Gregori

Publication type:

Article

Corrigendum: Understanding the Conformational Behavior of Fluorinated Piperidines: The Origin of the Axial‐F Preference.

Published in:

Chemistry - A European Journal, 2020, v. 26, n. 61, p. 14018, doi. 10.1002/chem.202004224

By:

Nairoukh, Zackaria;
Strieth‐Kalthoff, Felix;
Bergander, Klaus;
Glorius, Frank

Publication type:

Article

Metal Oxychlorides as Cathode Materials for Chloride Ion Batteries.

Published in:

Angewandte Chemie, 2013, v. 125, n. 51, p. 13866, doi. 10.1002/ange.201307314

By:

Zhao, Xiangyu;
Zhao ‐ Karger, Zhirong;
Wang, Di;
Fichtner, Maximilian

Publication type:

Article

Tin diffusion in germanium: a thermodynamic approach.

Published in:

Journal of Materials Science: Materials in Electronics, 2017, v. 28, n. 13, p. 9936, doi. 10.1007/s10854-017-6751-7

By:

Panayiotatos, Y.;
Saltas, V.;
Chroneos, A.;
Vallianatos, F.

Publication type:

Article

Inhibiting the growth of Sn whisker in Sn-9Zn lead-free solder by Nd and Ga.

Published in:

Journal of Materials Science: Materials in Electronics, 2014, v. 25, n. 6, p. 2671, doi. 10.1007/s10854-014-1927-x

By:

Xue, Peng;
Xue, Song-bai;
Shen, Yi-fu;
Zhu, Hong

Publication type:

Article

Knot soliton in DNA and geometric structure of its free-energy density.

Published in:

Journal of Biological Physics, 2018, v. 44, n. 1, p. 81, doi. 10.1007/s10867-017-9476-1

By:

Ying Wang;
Xuguang Shi

Publication type:

Article

Interaction between C18 fatty acids and DOPE PEG2000 in Langmuir monolayers: effect of degree of unsaturation.

Published in:

Journal of Biological Physics, 2017, v. 43, n. 3, p. 397, doi. 10.1007/s10867-017-9459-2

By:

Gew, Lai;
Misran, Misni

Publication type:

Article

Thermodynamic measures of cancer: Gibbs free energy and entropy of protein-protein interactions.

Published in:

Journal of Biological Physics, 2016, v. 42, n. 3, p. 339, doi. 10.1007/s10867-016-9410-y

By:

Rietman, Edward;
Platig, John;
Tuszynski, Jack;
Lakka Klement, Giannoula

Publication type:

Article

Binding free energy calculation with QM/MM hybrid methods for Abl-Kinase inhibitor.

Published in:

Journal of Biological Physics, 2011, v. 37, n. 1, p. 69, doi. 10.1007/s10867-010-9199-z

By:

Dubey, Kshatresh;
Ojha, Rajendra

Publication type:

Article

Thermodynamics and dynamics of the formation of spherical lipid vesicles.

Published in:

Journal of Biological Physics, 2009, v. 35, n. 3, p. 297, doi. 10.1007/s10867-009-9169-5

By:

Hernández-Zapata, Ernesto;
Martínez-Balbuena, Luciano;
Santamaría-Holek, Iván

Publication type:

Article

Potential of oil palm frond cellulose nanocrystals-activated carbon hydrogel beads for the removal of paracetamol from aqueous media.

Published in:

Cellulose, 2022, v. 29, n. 3, p. 1583, doi. 10.1007/s10570-021-04379-4

By:

Idris, Nor Najhan;
Hamidon, Tuan Sherwyn;
Abdullah, Nor Salmi;
Suryanegara, Lisman;
Hussin, M. Hazwan

Publication type:

Article

Reduction of Substituted p-Benzoquinones by FeII Near Neutral pH.

Published in:

Aquatic Geochemistry, 2010, v. 16, n. 1, p. 173, doi. 10.1007/s10498-009-9077-0

By:

Minori Uchimiya;
Alan Stone

Publication type:

Article

Thermodynamic Properties of Brucite Determined by Solubility Studies and Their Significance to Nuclear Waste Isolation.

Published in:

Aquatic Geochemistry, 2008, v. 14, n. 3, p. 223, doi. 10.1007/s10498-008-9034-3

By:

Yongliang Xiong

Publication type:

Article

An evolution equation based approach to topology optimization.

Published in:

PAMM: Proceedings in Applied Mathematics & Mechanics, 2016, v. 16, n. 1, p. 693, doi. 10.1002/pamm.201610335

By:

Jantos, Dustin Roman;
Junker, Philipp;
Hackl, Klaus

Publication type:

Article

Intrinsic symmetries in constitutive modeling of magneto-elastic materials.

Published in:

PAMM: Proceedings in Applied Mathematics & Mechanics, 2015, v. 15, n. 1, p. 383, doi. 10.1002/pamm.201510182

By:

Dobovšek, Igor

Publication type:

Article

Synthesis and design of the modified metal-organic framework adsorbent using boehmite for remarkable adsorption of cationic contaminants in the aqueous solutions.

Published in:

Chemical Engineering Research & Design: Transactions of the Institution of Chemical Engineers Part A, 2024, v. 203, p. 321, doi. 10.1016/j.cherd.2024.01.061

By:

Shahed, Ebrahim;
Zabihi, Mohammad;
Shahrouzi, Javad Rahbar

Publication type:

Article

Synthesis of biodiesel from residual oil extracted from spent bleaching earth using spent bleaching earth-supported catalyst.

Published in:

Chemical Engineering Research & Design: Transactions of the Institution of Chemical Engineers Part A, 2023, v. 200, p. 716, doi. 10.1016/j.cherd.2023.11.002

By:

Keasavan, Thivya;
Loh, Soh Kheang;
Jaafar, Nur Farhana;
Rahmawati, Zeni;
Abdullah, Wan Nazwanie Wan

Publication type:

Article

An equilibrium calculation tool with development potential for predicting phosphorus recovery from sewage sludge in entrained-flow gasifiers.

Published in:

Chemical Engineering Research & Design: Transactions of the Institution of Chemical Engineers Part A, 2023, v. 197, p. 53, doi. 10.1016/j.cherd.2023.07.008

By:

Askarizadeh, Hossein;
Lotfollahzadeh, Arash;
Wolfersdorf, Christian;
Pielsticker, Stefan;
Kneer, Reinhold

Publication type:

Article

Generalized analysis of optimal performance of chemical looping gasification.

Published in:

Chemical Engineering Research & Design: Transactions of the Institution of Chemical Engineers Part A, 2023, v. 195, p. 260, doi. 10.1016/j.cherd.2023.05.060

By:

Tirupathinaidu, Chintala;
Jain, Nikhil;
Renganathan, T.

Publication type:

Article