Chemical Thermodynamics and Energetics
Summary
Chemical thermodynamics describes how heat and work interconvert within chemical systems and governs reaction spontaneity, equilibria and phase behaviour. Central to this discipline are state functions—internal energy (U), enthalpy (H), entropy (S) and Gibbs free energy (G)—which quantify energy content, heat exchange and disorder. Enthalpy changes (ΔH) probe bond‐breaking and formation, while entropy changes (ΔS) reflect molecular freedom and mixing. The Gibbs criterion (ΔG=ΔH–TΔS) predicts whether processes proceed spontaneously under constant temperature and pressure. Thermodynamic models extend from the ideal‐gas law (PV=RT) to real‐gas equations and activity‐coefficient formalisms for non‐ideal solutions. Applications span reaction engineering, materials synthesis, separations, energy conversion and environmental remediation, where quantifying enthalpic and entropic balances guides design of catalysts, sorbents and energy carriers.
Research from Nature Portfolio
Ab initio and calorimetric investigations have elucidated the earliest molecular steps in tricalcium aluminate hydration, revealing water dissociation at alumina‐rich surfaces and successive Ca–proton exchange that drives interface‐coupled dissolution–reprecipitation. Quantitative simulations of ΔH and surface speciation link interfacial complexation to macroscopic set‐times and heat evolution in cement pastes. In parallel, high‐resolution neutron and X‐ray scattering studies of benzene–methanol mixtures have mapped the enthalpic and entropic signatures of weak O–H···π and C–H···O hydrogen bonding. These cooperative interactions impose long‐range orientational order and non‐ideal mixing enthalpies, refining free‐energy models for solvation and non‐covalent networks in liquid‐phase systems.
Chemical Thermodynamics and Energetics publication trend
The graph below shows the total number of articles in chemical thermodynamics and energetics across all publications each year (not limited to Nature Index journals).
Technical terms
Gibbs free energy change (ΔG): ΔG=ΔH–TΔS; determines spontaneity at constant temperature and pressure.
Enthalpy change (ΔH): Heat absorbed or released at constant pressure, reflecting bond energies and solvation.
Entropy change (ΔS): Measure of disorder or molecular freedom; positive for processes that increase randomness.
Stability constant (β): Equilibrium constant for metal–ligand complex formation, β=[ML_n]/([M][L]^n).
Speciation: Distribution of chemical species (e.g. ML, ML₂, hydroxo complexes) in solution under defined conditions.
References
- From speciation study to removal of Pb2+ from natural waters by a carnosine-based polyacrylamide/azlactone copolymer. Journal of Environmental Management (2023).
- Metronidazole Interaction with Cu2+ and Zn2+: Speciation Study in Aqueous Solution and Biological Activity Evaluation. ACS Omega (2024).
- Deferiprone: new environmental perspectives. Insights into its sequestering ability vs. different metal cations. Ecotoxicology and Environmental Safety (2024).
- Molecular insight into the initial hydration of tricalcium aluminate. Nature Communications (2024).
- Strong structuring arising from weak cooperative O-H···π and C-H···O hydrogen bonding in benzene-methanol solution. Nature Communications (2023).
- Thermodynamics.
About these summaries
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