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Thermodynamic data for modeling acid mine drainage problems: compilation and estimation of data for selected soluble iron-sulfate minerals

Enthalpy of formation, Gibbs energy of formation, and entropy values have been compiled from the literature for the hydrated ferrous sulfate minerals melanterite, rozenite, and szomolnokite, and a variety of other hydrated sulfate compounds. On the basis of this compilation, it appears that there is no evidence for an excess enthalpy of mixing for sulfate-H2O systems, except for the first H2O molecule of crystallization. The enthalpy and Gibbs energy of formation of each H2O molecule of crystallization, except the first, in the iron(II) sulfate - H2O system is -295.15 and -238.0 kJ?mol-1, respectively. The absence of an excess enthalpy of mixing is used as the basis for estimating thermodynamic values for a variety of ferrous, ferric, and mixed-valence sulfate salts of relevance to acid-mine drainage systems.

Open-File Report

FFTDC2: a one-dimensional Fourier transform with forward and inverse data conditioning for non-complex data

A subroutine (FFTDC2) coded in Fortran 77 is described, which performs a Fast Fourier Transform or Discrete Fourier Transform together with necessary conditioning steps of trend removal, extension, and windowing. The source code for the entire library of required subroutines is provided with the digital release of this report. But, there is only one required entry point, the subroutine call to FFTDC2; all the other subroutines are operationally transparent to the user. Complete instructions for use of FFTDC2.F (as well as for all the other subroutines) and some practical theoretical discussions are included as comments at the beginning of the source code. This subroutine is intended to be an efficient tool for the programmer in a variety of production-level signal-processing applications.

Open-File Report