相关论文: Modeling low saline carbonated water flooding incl…
The ionic composition and pair correlations in fluid phases of realistically salt-free charged colloidal sphere suspensions are calculated in the primitive model. We obtain the number densities of all ionic species in suspension, including…
In this paper, a predictive constraint-aware control scheme is formulated within the Command Governor (CG) framework for localized hydration management of a proton exchange membrane (PEM) fuel cell system. First, a comprehensive nonlinear…
The oxidation of human sebum, a lipid mixture covering our skin, generates a range of volatile and semi-volatile carbonyl compounds that contribute largely to indoor air pollution in crowded environments. Kinetic models have been developed…
Full Waveform Inversion (FWI) is a technique employed to attain a high resolution subsurface velocity model. However, FWI results are effected by the limited illumination of the model domain and the quality of that illumination, which is…
We report on a molecular dynamics investigation of the wetting properties of graphitic surfaces by various solutions at concentrations 1-8 wt% of commercially available non-ionic surfactants with long hydrophilic chains, linear or T-shaped.…
We develop a new approach for efficient and scalable simulations of measurement and control of quantum systems built upon existing phase-space methods, namely the Truncated Wigner Approximation (TWA). We benchmark against existing…
Models of soil organic carbon (SOC) frequently overlook the effects of spatial dimensions and microbiological activities. In this paper, we focus on two reaction-diffusion chemotaxis models for SOC dynamics, both supporting…
The wavelength of a periodic spatial structure of Turing type is an intrinsic property of the considered reaction-diffusion dynamics and we address the question of its control at the microscopic scale for given dynamical parameters. The…
Seismic full-waveform inversion (FWI) is a nonlinear computational imaging technique that can provide detailed estimates of subsurface geophysical properties. Solving the FWI problem can be challenging due to its ill-posedness and high…
It is the purpose of this work to develop new approach for chemical compositional reservoir simulation, which may be regarded as a sequential method. The development process can be roughly divided into the following two stages: (1)…
As the global deployment of carbon capture and sequestration (CCS) technology intensifies in the fight against climate change, it becomes increasingly imperative to establish robust monitoring and detection mechanisms for potential…
The increasing prevalence of marine pollution during the past few decades motivated recent research to help ease the situation. Typical water quality assessment requires continuous monitoring of water and sediments at remote locations with…
The primary objective of this study is to establish an understanding of the role of high-salinity brine on the intensity of asphaltene aggregation onset during waterflooding of petroleum reservoirs. We already have shown that asphaltenes…
Warm dense matter (WDM) is an active field of research, with applications ranging from astrophysics to inertial confinement fusion. Ionization degree and continuum lowering are important quantities to understand how materials behave under…
The growing interest in energy applications of molten salts is justified by several of their properties. Their possibilities of usage as a coolant, heat transfer fluid or heat storage substrate, require thermo-hydrodynamic refined…
A high level polarizable force field is used to study the temperature dependence of hydrophobic hydration of small-sized molecules from computer simulations. Molecular dynamics (MD) simulations of liquid water at various temperatures form…
We introduce a hydrodynamic framework for describing monitored classical stochastic processes. We study the conditional ensembles for these monitored processes -- i.e., we compute spacetime correlation functions conditioned on a fixed,…
Predicting the geometrical evolution of the pore space in geological formations due to fluid-solid interactions has applications in reservoir engineering, oil recovery, and geological storage of carbon dioxide. However, modeling frameworks…
Parametrizing energy functions for ionic systems can be challenging. Here, the total energy function for an eutectic system consisting of water, SCN$^-$, K$^+$ and acetamide is improved vis-a-vis experimentally measured properties. Given…
The contamination impact and the migration of the contaminant into the surrounding environment due to the presence of a spilled oil pipeline will cause significant damage to the natural ecosystem. For this reason, it is decisive to develop…