Residence times

@misc{macintyre1970why1,
    author = "MacIntyre, F",
    title = "Why the Sea is Salt",
    year = "1970",
    howpublished = "Scientific American, v. 223, no. 5",
    note = "talkorigins\_source = {true}; raw\_reference = {MacIntyre, F., 1970, Why the Sea is Salt: Scientific American, v. 223, no. 5.}"
}

@article{ando2005residence,
    author = "Ando, B. and Baglio, S. and Bulsara, A.R. and Sacco, V.",
    title = {"Residence times difference" fluxgate magnetometers},
    year = "2005",
    journal = "IEEE Sensors Journal",
    url = "https://doi.org/10.1109/jsen.2005.853598",
    doi = "10.1109/jsen.2005.853598",
    number = "5",
    pages = "895-904",
    volume = "5"
}

@article{andò2005residence,
    author = "Andò, Bruno and Baglio, Salvatore and Bulsara, Adi R. and Sacco, Vincenzo",
    title = "“Residence times difference” fluxgate",
    year = "2005",
    journal = "Measurement",
    url = "https://doi.org/10.1016/j.measurement.2005.06.002",
    doi = "10.1016/j.measurement.2005.06.002",
    number = "2",
    pages = "89-112",
    volume = "38"
}

The residence time measures the time spent by a water parcel or a pollutant in a given water body and is therefore widely used in environmental studies. The adjoint method introduced by Delhez et al. (2004) to compute this diagnostic is revised here to take into account the effect of the initialization and of the boundary conditions. In addition to the equation for the mean residence time, it is suggested to solve a simple advection-diffusion problem to quantify the effect of the initialization and clarify the interpretation of the results. Using the two same equations but with modified boundary conditions, the method can also be used to quantify the accumulated time spent by water/tracer parcels in a control domain. This diagnostic is called "exposure time". Analytical and realistic model results are used to illustrate the concepts.

@article{delhez2006transient,
    author = "Delhez, E. J. M.",
    title = "Transient residence and exposure times",
    year = "2006",
    journal = "Ocean Science",
    abstract = {The residence time measures the time spent by a water parcel or a pollutant in a given water body and is therefore widely used in environmental studies. The adjoint method introduced by Delhez et al. (2004) to compute this diagnostic is revised here to take into account the effect of the initialization and of the boundary conditions. In addition to the equation for the mean residence time, it is suggested to solve a simple advection-diffusion problem to quantify the effect of the initialization and clarify the interpretation of the results. Using the two same equations but with modified boundary conditions, the method can also be used to quantify the accumulated time spent by water/tracer parcels in a control domain. This diagnostic is called "exposure time". Analytical and realistic model results are used to illustrate the concepts.},
    url = "https://doi.org/10.5194/os-2-1-2006",
    doi = "10.5194/os-2-1-2006",
    number = "1",
    pages = "1-9",
    volume = "2"
}

Commercially used carbonate-based electrolytes in lithium-ion batteries are susceptible to many challenges, including flammability, volatility, and lower thermal stability. Solvated ionic liquids of LiTFSI salt (lithium bis(trifluoromethylsulfonyl)-amide) and glyme-based solvents are potential alternative candidates for commonly used electrolytes. We perform classical molecular dynamics (MD) simulations study the effect of concentration and temperature on the translational and rotational dynamics. The radial distribution function shows stronger coordination of Li$^+$ ions with tetraglyme(G4), as shown in earlier studies, and forms a stable [Li(G4)]$^+$ cation complex. The self-diffusion coefficients are lower than the values experimentally observed but show better improvement over other classical force fields. An increase in the salt concentrations leads to a higher viscosity of the system and reduces the overall ionic mobility of Li$^{+}$ ions. Diluting the system with a larger number of glyme molecules leads to shorter rotational relaxation times for both TFSI and tetraglyme. Ion-residence times show that Li$^+$ ions form stable and long-lasting complexes with G4 molecules than TFSI anions. The residence time of [Li(G4)]$^+$ complex increases at higher salt concentrations due to the availability of fewer G4 molecules to coordinate with a Li$^+$ ion. G4 is also seen to form polydentate complexes with Li$^+$ without a shared coordination, allowing rotation without breaking coordination, unlike TFSI, which requires coordination disruption for rotation. This distinction explains the poor correlation between rotation and residence time for G4 and the strong correlation for TFSI.

@misc{thakur2025how,
    author = "Thakur, Vinay and Prakash, Prabhat and Ranganathan, Raghavan",
    title = "How individual vs shared coordination governs the degree of correlation in rotational vs residence times in a high-viscosity lithium electrolyte",
    year = "2025",
    publisher = "arXiv",
    abstract = "Commercially used carbonate-based electrolytes in lithium-ion batteries are susceptible to many challenges, including flammability, volatility, and lower thermal stability. Solvated ionic liquids of LiTFSI salt (lithium bis(trifluoromethylsulfonyl)-amide) and glyme-based solvents are potential alternative candidates for commonly used electrolytes. We perform classical molecular dynamics (MD) simulations study the effect of concentration and temperature on the translational and rotational dynamics. The radial distribution function shows stronger coordination of Li$^+$ ions with tetraglyme(G4), as shown in earlier studies, and forms a stable [Li(G4)]$^+$ cation complex. The self-diffusion coefficients are lower than the values experimentally observed but show better improvement over other classical force fields. An increase in the salt concentrations leads to a higher viscosity of the system and reduces the overall ionic mobility of Li$^{+}$ ions. Diluting the system with a larger number of glyme molecules leads to shorter rotational relaxation times for both TFSI and tetraglyme. Ion-residence times show that Li$^+$ ions form stable and long-lasting complexes with G4 molecules than TFSI anions. The residence time of [Li(G4)]$^+$ complex increases at higher salt concentrations due to the availability of fewer G4 molecules to coordinate with a Li$^+$ ion. G4 is also seen to form polydentate complexes with Li$^+$ without a shared coordination, allowing rotation without breaking coordination, unlike TFSI, which requires coordination disruption for rotation. This distinction explains the poor correlation between rotation and residence time for G4 and the strong correlation for TFSI.",
    url = "https://arxiv.org/abs/2505.02457",
    doi = "10.48550/arxiv.2505.02457"
}