Works matching DE "THERMODYNAMIC molecular model"
Results: 40
The Entropy of Mixing in Self-Assembly and the Role of Surface Tension in Modeling the Critical Micelle Concentration.
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- Colloids & Interfaces, 2024, v. 8, n. 6, p. 60, doi. 10.3390/colloids8060060
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- Article
The role of chlorine atom on the binding between acrylonitrile derivatives and fat mass and obesity‐associated protein.
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- Journal of Molecular Recognition, 2021, v. 34, n. 4, p. 1, doi. 10.1002/jmr.2880
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- Article
EXTENDED SEMI-ANALYTICAL MODEL FOR THE PREDICTION OF FLOW AND CONCENTRATION FIELDS IN A TANGENTIALLY-FIRED FURNACE.
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- Thermal Science, 2013, v. 17, n. 4, p. 1233, doi. 10.2298/TSCI121117027L
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- Article
THE SECOND LAW ANALYSIS OF NATURAL GAS BEHAVIOUR WITHIN A VORTEX TUBE.
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- Thermal Science, 2013, v. 17, n. 4, p. 1079, doi. 10.2298/TSCI110505082F
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- Article
High-temperature mass spectrometric study of the vaporization processes and thermodynamic properties of melts in the PbO-B<sub>2</sub>O<sub>3</sub>-SiO<sub>2</sub> system.
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- Rapid Communications in Mass Spectrometry: RCM, 2013, v. 27, n. 13, p. 1559, doi. 10.1002/rcm.6606
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- Article
A thermodynamic model for calculating manganese distribution ratio between CaO-SiO<sub>2</sub>-MgO-FeO-MnO-Al<sub>2</sub>O<sub>3</sub>-TiO<sub>2</sub>-CaF<sub>2</sub> ironmaking slags and carbon saturated hot metal based on the IMCT.
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- Ironmaking & Steelmaking, 2018, v. 45, n. 7, p. 655, doi. 10.1080/03019233.2017.1318547
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- Article
Investigating salt decay of stone materials related to the environment, a case study in the St. James church in Liège, Belgium.
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- Studies in Conservation, 2017, v. 62, n. 6, p. 329, doi. 10.1080/00393630.2016.1236997
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- Article
Locality of the Thomas-Fermi-von Weizsäcker Equations.
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- Archive for Rational Mechanics & Analysis, 2017, v. 224, n. 3, p. 817, doi. 10.1007/s00205-017-1075-6
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- Article
TCInvestigator: automated calculation of mineral mode and composition contours for thermocalc pseudosections.
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- Journal of Metamorphic Geology, 2015, v. 33, n. 4, p. 413, doi. 10.1111/jmg.12126
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- Article
Formulating Nonionic Detergents via the Integrated Free Energy Model.
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- Journal of Surfactants & Detergents, 2019, v. 22, n. 5, p. 1023, doi. 10.1002/jsde.12322
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- Article
Aromatic volatile organic compounds absorption with phenyl‐based deep eutectic solvents: A molecular thermodynamics and dynamics study.
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- AIChE Journal, 2023, v. 69, n. 5, p. 1, doi. 10.1002/aic.18053
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- Article
Modified COSMO‐UNIFAC model for ionic liquid–CO<sub>2</sub> systems and molecular dynamic simulation.
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- AIChE Journal, 2022, v. 68, n. 7, p. 1, doi. 10.1002/aic.17724
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- Article
Atomic Cluster Aggregates in Nucleation of Solid Alumina Inclusion in the Aluminum Deoxidation for Liquid Iron.
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- Metallurgical & Materials Transactions. Part B, 2018, v. 49, n. 1, p. 282, doi. 10.1007/s11663-017-0973-1
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- Article
Thermodynamic Modeling of the Al-Cr-Mn Ternary System.
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- Metallurgical & Materials Transactions. Part A, 2017, v. 48, n. 3, p. 1383, doi. 10.1007/s11661-016-3894-8
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- Article
Advances in ICME Implementation: Concepts and Practices.
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- 2017
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- Publication type:
- Editorial
Computer-aided reaction solvent design considering inertness using group contribution-based reaction thermodynamic model.
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- Chemical Engineering Research & Design: Transactions of the Institution of Chemical Engineers Part A, 2019, v. 152, p. 123, doi. 10.1016/j.cherd.2019.09.018
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- Article
Effect of Fluorescent Labels on DNA Affinity for Gold Nanoparticles.
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- Nanomaterials (2079-4991), 2021, v. 11, n. 5, p. 1178, doi. 10.3390/nano11051178
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- Article
Environmental aspects of metals removal from waters and gold recovery.
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- AIChE Journal, 2015, v. 61, n. 9, p. 2739, doi. 10.1002/aic.14917
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- Article
An experimental investigation on the influence of phenol on the solubility of CO<sub>2</sub> in aqueous solutions of NaOH.
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- AIChE Journal, 2015, v. 61, n. 9, p. 2832, doi. 10.1002/aic.14742
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- Article
Thermodynamic model for the permeability of light gases in glassy polymers.
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- AIChE Journal, 2015, v. 61, n. 9, p. 2776, doi. 10.1002/aic.14858
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- Article
An electrolyte CPA equation of state for mixed solvent electrolytes.
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- AIChE Journal, 2015, v. 61, n. 9, p. 2933, doi. 10.1002/aic.14829
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- Article
EMPIRE: a highly parallel semiempirical molecular orbital program: 1: self-consistent field calculations.
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- Journal of Molecular Modeling, 2014, v. 20, n. 7, p. 1, doi. 10.1007/s00894-014-2331-4
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- Article
Ceres’s internal evolution: The view after Dawn.
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- Meteoritics & Planetary Science, 2018, v. 53, n. 9, p. 1778, doi. 10.1111/maps.13135
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- Article
Molecular and thermodynamic mechanisms for protein adaptation.
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- European Biophysics Journal, 2022, v. 51, n. 7/8, p. 519, doi. 10.1007/s00249-022-01618-9
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- Article
ANALYSIS AND SIMULATION OF DIETHYL CARBONATE SYNTHESIS VIA CO<sub>2</sub> AND ETHANOL CONVERSION.
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- Environmental & Social Management Journal / Revista de Gestão Social e Ambiental, 2023, v. 17, n. 5, p. 1, doi. 10.24857/rgsa.v17n5-003
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- Article
Proposed design of distributed macroalgal biorefineries: thermodynamics, bioconversion technology, and sustainability implications for developing economies.
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- Biofuels, Bioproducts & Biorefining, 2014, v. 8, n. 1, p. 67, doi. 10.1002/bbb.1438
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- Article
A Thermodynamic Constitutive Model for Saturated Sand.
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- Entropy, 2019, v. 21, n. 2, p. 136, doi. 10.3390/e21020136
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- Article
Long-term fluid circulation in extensional faults in the central Catalan Coastal Ranges: P-T constraints from neoformed chlorite and K-white mica.
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- International Journal of Earth Sciences, 2014, v. 103, n. 1, p. 165, doi. 10.1007/s00531-013-0963-8
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- Article
Venus Surface Composition Constrained by Observation and Experiment.
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- Space Science Reviews, 2017, v. 212, n. 3/4, p. 1511, doi. 10.1007/s11214-017-0370-8
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- Article
Molecular interactions and thermodynamic modelling of N,N-dimethyl benzyl amine-alkoxy ethanol mixtures: an FT-IR spectroscopy and Jouyban–Acree model approach.
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- Physics & Chemistry of Liquids, 2025, v. 63, n. 1, p. 133, doi. 10.1080/00319104.2024.2375528
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- Article
Surface tension for pure fluids by molecular thermodynamic model and PHTC equation of state.
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- Physics & Chemistry of Liquids, 2020, v. 58, n. 4, p. 516, doi. 10.1080/00319104.2019.1616192
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- Article
Influence of the methyl position on the binding of 5-epi-taiwaniaquinone G to HHb investigated by spectrofluorimetry and molecular modelling.
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- Physics & Chemistry of Liquids, 2019, v. 57, n. 4, p. 516, doi. 10.1080/00319104.2018.1491573
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- Article
Predicting the Release Mechanism of Amorphous Solid Dispersions: A Combination of Thermodynamic Modeling and In Silico Molecular Simulation.
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- Pharmaceutics, 2024, v. 16, n. 10, p. 1292, doi. 10.3390/pharmaceutics16101292
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- Article
Devonian ore clastic turbidites of the Molodezhnoe massive copper sulfide deposit, Southern Urals.
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- Geochemistry International, 2015, v. 53, n. 7, p. 624, doi. 10.1134/S0016702915070095
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- Article
Ca/Al of plagioclase-hosted melt inclusions as an indicator for post-entrapment processes at mid-ocean ridges?
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- Geologica Acta, 2016, v. 14, n. 1, p. 1, doi. 10.1344/GeologicaActa2016.14.1.1
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- Article
Amino Acid Modified Eggshell Powder (AA-ESP)—A Novel Bio-Solid Scaffold for Adsorption of Some Styrylpyridinium Dyes.
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- Journal of Dispersion Science & Technology, 2013, v. 34, n. 8, p. 1099, doi. 10.1080/01932691.2012.737752
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- Article
Analysis and evaluation of a new solar energy-based multigeneration system.
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- International Journal of Energy Research, 2016, v. 40, n. 10, p. 1339, doi. 10.1002/er.3516
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- Article
Solution of a torsional Schrödinger equation with a periodic potential of general form. The probability amplitude and probability density.
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- Optics & Spectroscopy, 2017, v. 123, n. 2, p. 217, doi. 10.1134/S0030400X17080239
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- Article
Novel BC<sub>2</sub>N Nanocages: A DFT Investigation.
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- Heteroatom Chemistry, 2015, v. 26, n. 2, p. 150, doi. 10.1002/hc.21240
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- Article
Thermodynamics and Kinetics of CO2/CH4 Adsorption on Shale from China: Measurements and Modeling.
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- Energies (19961073), 2019, v. 12, n. 6, p. 978, doi. 10.3390/en12060978
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- Article