Publications

2026

Li, H., Yuen, K.-V., Ma, H., Shi, X., Li, Y., Yang, C., Zheng, X., et al. (2026). Salt caverns in the energy transition: A comparative review of cavern integrity from strategic reserves to high-frequency cyclic storage. Applied Energy. https://doi.org/10.1016/j.apenergy.2026.127781
Hiraguchi, A., Zheng, X., Underwood, T. R., Kobayashi, K., Yamaguchi, A., Itakura, M., Machida, M., Rosso, K. M., Bourg, I. C., & Okumura, M. (2026). Revealing the adsorption mechanism of cesium ions in Na-montmorillonite interlayers with molecular dynamics simulations. Journal of Colloid and Interface Science, under review.
Hiraguchi, A., Zheng, X., Underwood, T. R., Kobayashi, K., Yamaguchi, A., Itakura, M., Machida, M., Rosso, K. M., Bourg, I. C., & Okumura, M. (2026). Molecular dynamics investigation of the temperature dependence of cesium adsorption on montmorillonite. Journal of Nuclear Science and Technology, under review.
Li, H., Yuen, K.-V., Zheng, X., Ma, H., Lei, Z., Fu, L., Guang, W., & Yang, C. (2026). Acoustic emission multifractal characteristics and damage evolution of rock salt under creep-fatigue loading. International Journal of Rock Mechanics and Mining Sciences, under review.
Zhan, W., Yuan, Y., Scheiba, F., Zhan, C., Zhang, X., Weng, Q., Arauz-Lara, J. L., Jia, F., Song, S., & Zheng, X. (2026). Molecular-selective electroreductive Au(I) recovery via precision pore-environment engineering. Journal of the American Chemical Society, under review.
Dai, W. & Zheng, X. (2026). Nanoplastics as Sinks or Mobilizers: PFAS Partitioning, Mobility, and Retention in Clay–Water Systems. Environmental Science & Technology, in preparation.
Zhan, W. & Zheng, X. (2026). Composition-topology coupling programs clay-gel interphase assembly in alkali-activated aluminosilicates, in preparation.
Lu, M. & Zheng, X. (2026). Molecular controls on PFAS retention and remobilization in organic-rich sediments. Environmental Science & Technology, in preparation.
Ning, Y. & Zheng, X. (2026). A single-field two-phase model for PFAS air-water interfacial retention in variably saturated soils, in preparation.
Ning, Y. & Zheng, X. (2026). Coupled thermo–hydro–chemical–radiological modelling of radionuclide fate and near-field stability around a buried heat-emitting waste source in marine clay, in preparation.
Ning, Y. & Zheng, X. (2026). An open-source, file-coupled two-way relay between a reactive-transport/decay-heat THC solver and elasto-plastic rock mechanics: verification and application to underground nuclear caverns in granite, in preparation.

Publications before 2026

Zheng, X. & Bourg, I. C. (2025). Microstructure, transport, and mechanics of compacted clay simulated at the 0.1 μm scale (1400 smectite clay particles) using a coarse-grained model with explicit counterions. Journal of Physical Chemistry C. https://doi.org/10.1021/acs.jpcc.6c00004

Zheng, X. & Bourg, I. C. (2025). A multiscale approach to simulate non-isothermal multiphase flow in deformable porous materials. Water Resources Research. https://doi.org/10.1029/2025WR041300

Zheng, X., Shen, X., Bourg, I. C. (2025). Coarse grained simulation of the self-assembly of thousands of clay particles in liquid water: Microstructure and mechanics as a function of particle shape and aqueous chemistry. Journal of Colloid and Interface Science. https://doi.org/10.1016/j.jcis.2025.137573

Shen, X., Zheng, X., Bourg, I. C. (2025). A coarse-grained model of clay colloidal aggregation and consolidation with explicit representation of the electrical double layer. Journal of Colloid and Interface Science. https://doi.org/10.1016/j.jcis.2024.12.053

Zheng, X. & Bourg, I. C. (2023). Nanoscale prediction of the thermal, mechanical, and transport properties of hydrated clay on 106- and 1015-fold larger length and time scales. ACS Nano. https://doi.org/10.1021/acsnano.3c05751

Zheng, X., Underwood, T. R., & Bourg, I. C. (2023). Molecular dynamics simulation of thermal, hydraulic, and mechanical properties of bentonite clay at 298 to 373 K. Applied Clay Science, 240, 106964. https://doi.org/10.1016/j.clay.2023.106964

Zheng, X. & Espinoza, D. N. (2022). Stochastic quantification of CO2 fault sealing capacity in sand-shale sequences. Marine and Petroleum Geology, 105961. https://doi.org/10.1016/j.marpetgeo.2022.105961

Zheng, X., Espinoza, D. N., Vandamme, M., & Pereira, J.-M. (2022). CO2 plume and pressure monitoring through pressure sensors above the caprock. International Journal of Greenhouse Gas Control, 117, 103660. https://doi.org/10.1016/j.ijggc.2022.103660

Zheng, X. & Espinoza, D. N. (2021). Measurement of unloading pore volume compressibility of Frio sand under uniaxial strain stress path and implications on reservoir pressure management. Rock Mechanics and Rock Engineering. https://doi.org/10.1007/s00603-021-02571-3

Zheng, X. & Espinoza, D. N. (2021). Multiphase CO2-brine transport properties of synthetic fault gouge. Marine and Petroleum Geology, 129, 105054. https://doi.org/10.1016/j.marpetgeo.2021.105054

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