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Yoosefdoost, A.; Santos, R.M. Geochemical Modeling from the Asteroid Belt to the Kuiper Belt: Systematic Review. Encyclopedia. Available online: https://encyclopedia.pub/entry/59479 (accessed on 06 February 2026).
Yoosefdoost A, Santos RM. Geochemical Modeling from the Asteroid Belt to the Kuiper Belt: Systematic Review. Encyclopedia. Available at: https://encyclopedia.pub/entry/59479. Accessed February 06, 2026.
Yoosefdoost, Arash, Rafael M. Santos. "Geochemical Modeling from the Asteroid Belt to the Kuiper Belt: Systematic Review" Encyclopedia, https://encyclopedia.pub/entry/59479 (accessed February 06, 2026).
Yoosefdoost, A., & Santos, R.M. (2026, February 05). Geochemical Modeling from the Asteroid Belt to the Kuiper Belt: Systematic Review. In Encyclopedia. https://encyclopedia.pub/entry/59479
Yoosefdoost, Arash and Rafael M. Santos. "Geochemical Modeling from the Asteroid Belt to the Kuiper Belt: Systematic Review." Encyclopedia. Web. 05 February, 2026.
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The high costs and time-consuming nature of space exploration missions are among the major barriers to studying deep space. The lack of samples and limited information make such studies challenging, highlighting the need for innovative solutions, including advanced data-mining techniques and tools such as geochemical modeling, as strategies for overcoming challenges in data scarcity. Geochemical modeling is a powerful tool for understanding the processes that govern the composition and distribution of elements and compounds in a system. In cosmology, space geochemical modeling could support cosmochemistry by simulating the evolution of the atmospheres, crusts, and interiors of astronomical objects and predicting the geochemical conditions of their surfaces or subsurfaces. This study uniquely focuses on the geochemical modeling of celestial bodies beyond Mars, fills a significant gap in the literature, and provides a vision of what has been done by analyzing, categorizing, and providing the critical points of these research objectives, exploring geochemical modeling aspects, and outcomes. To systematically trace the intellectual structure of this field, this study follows the PRISMA guidelines for systematic reviews. It includes a structured screening process that uses bibliographic methods to identify relevant studies. To this end, we developed the Custom Bibliometric Analyses Toolkit (CBAT), which includes modules for keyword extraction, targeted thematic mapping, and visual network representation. This toolkit enables the precise identification and analysis of relevant studies, providing a robust methodological framework for future research. Europa, Titan, and Enceladus are among the most studied celestial bodies, with spectrometry and thermodynamic models as the most prevalent methods, supported by tools such as FREZCHEM, PHREEQC, and CHNOSZ. By exploring geochemical modeling solutions, our systematic review serves to inform future exploration of distant celestial bodies and assist in ambitious questions such as habitability and the potential for extraterrestrial life in the outer solar system.
geochemical modeling
remote sensing
bibliographic screening
planetary science
moons and satellites
rocks and minerals
Geochemistry is a field that integrates geology with chemical concepts and methods to uncover the mechanisms of major geological systems such as the Earth’s crust and seas [1]. Evidence suggests that the roots of this field date back to 1838, when the term ‘geochemistry’ was used instead of chemical geology by Christian Friedrich Schönbein [2]. Geochemistry has been recognized as a distinct field of science since the United States Geological Survey (USGS) conducted systematic investigations of rock and mineral chemistry in 1884 [2][3]. Geochemistry’s domain ranges even to space objects, including the Solar System, and has significantly contributed to expanding the knowledge of various processes in space, including planet formation [4] and cosmochemistry.
Cosmochemistry is the science of the chemical composition and processes in the universe, from the formation of the first solid bodies to the evolution of stars, galaxies, and planetary systems. It aims to understand the origins and evolution of the chemical elements, isotopes, and minerals in the universe. Cosmochemistry has been known as a distinct scientific field since 1901. However, evidence suggests that the roots of cosmochemistry may date back approximately one decade after the distinction of geochemistry; in the early 1850s, the meteorite composition was studied and compared with that of the rocks of Earth [2][5]. Space geochemistry is a subsection of cosmochemistry that focuses on the geochemical composition and processes of astronomical objects (such as planets, moons, asteroids, comets, and meteorites) to understand the origin and evolution of the chemical and isotopic compositions of these bodies, as well as the processes that have shaped their surface and interior over time.
Geochemical modeling, which is oversimplified and not exact, can be defined as a mathematically based method to explore how natural processes affect the material chemistry of a celestial body (a space object such as a planet or moon) over time and space. For example, how rocks change due to weathering, volcanic activity might affect the atmosphere, potential life-sustaining compounds may form, etc.
Geochemical modeling, also known as theoretical geochemistry, is the practice of analyzing chemical processes that impact geologic systems via chemical thermodynamics, chemical kinetics, or both, and employs mathematical equations to characterize chemical and transport processes in a geological system to make predictions that are partially visible or empirically verifiable [6]. This tool is utilized for interdisciplinary studies such as those on environmental geochemistry, petroleum geology, and geothermal and hydrothermal fluids [7][8]. Geochemical modeling also supports cosmology and cosmochemistry in studying the geochemistry of other planets and moons. The main goal of geochemical modeling is to understand the processes that govern the composition and distribution of elements and compounds in a system and to estimate the geochemical conditions on other planets and moons. Geochemical models can be used to simulate the evolution of a planet’s or moon’s atmosphere, crust, or interior, and to predict geochemical conditions at the surface or in the subsurface.
Geochemical models quantitatively analyze chemical reactions in geological systems by solving mathematical equations of thermodynamics, kinetics, mass balance, and fluid dynamics models, and assisting in predicting future events and scenarios [9]. Equilibrium, kinetic, and thermodynamic models are among the geochemical models that can be used to study space geochemistry. Equilibrium models assume that a system is in equilibrium and that the concentrations of all species are constant over time. Kinetic models consider the time dependence of reactions and the change in species concentrations over time. Thermodynamic models are based on the laws of thermodynamics and describe the behavior of a system in terms of the free energy of the species and the temperature and pressure conditions.
Given the technical barriers and the costs of space exploration, direct analysis of many astronomical objects seems unlikely in the near future [10]. Despite the number of geochemical modeling studies on the Moon and other celestial bodies, even as far as Mars, the number of studies conducted on space objects located beyond Mars is insignificant. Fewer space exploration missions about these objects lead to a lack of samples and less available information, making the geochemical modeling of such studies novel but much more challenging. Therefore, this work focused on studies of geochemical modeling of space objects beyond Mars to provide a vision of what has been done thus far by analyzing, categorizing, and providing the critical points of these research objectives, exploring geochemical modeling aspects and findings.
More precisely, this systematic review focuses exclusively on geochemical reaction modeling—thermodynamic and kinetic models of fluid–solid–gas interactions and aqueous and nonaqueous fluid speciation—applied to bodies beyond Mars, including icy moons and Kuiper Belt Objects (KBO). This systematic review intentionally restricts inclusion to studies that perform geochemical reaction modeling (thermodynamic/kinetic) of volatile–ice–brine and related solid–fluid systems on bodies beyond Mars; atmospheric circulation/photochemistry, accretion/evolution, and purely geophysical models are outside the scope unless they explicitly implement such reaction modeling.
References
- Kragh, H. From geochemistry to cosmochemistry: The origin of a scientific discipline, 1915–1955. In Chemical Sciences in the 20th Century: Bridging Boundaries; Reinhold, C., Ed.; John Wiley & Sons: Hoboken, NJ, USA, 2008; pp. 160–192.
- McSween, H.Y.; Richardson, S.M.; Uhle, M.E.; Richardson, S.M. Geochemistry Pathways and Processes, 2nd ed.; Columbia University: Cambridge, UK, 2003.
- McSween, H.Y.J.; Huss, G.R. Cosmochemistry; Cambridge University Press: Cambridge, UK, 2010.
- White, W.M. Geochemistry, 2nd ed.; Wiley-Blackwell: Hoboken, NJ, USA, 2020.
- Zhu, C. Geochemical Modelling in Environmental and Geological Studies. In Encyclopedia of Sustainability Science and Technology; Springer: New York, NY, USA, 2012; pp. 4094–4104.
- Bethke, C. Geochemical Reaction Modelling: Concepts and Applications; Oxford University Press: Oxford, UK, 1996.
- Khalidy, R.; Santos, R.M. Assessment of geochemical modelling applications and research hot spots—A year in review. Environ. Geochem. Health 2021, 43, 3351–3374.
- Zhu, C.; Anderson, G. Geochemical Modelling. Zhu Laboratory, Indiana University Bloomington. 2023. Available online: https://hydrogeochem.earth.indiana.edu/software/index.html (accessed on 27 January 2026).
- Johnson, P.V.; Hodyss, R.; Vu, T.H.; Choukroun, M. Insights into Europa’s ocean composition derived from its surface expression. Icarus 2019, 321, 857–865.
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