The ASME AG-1 Code specifies minimum rated airflow based on standard cubic feet per minute (SCFM) for axial high efficiency particulate air (HEPA) filters and actual cubic feet per minute (ACFM) for radial HEPA filters. This study illustrates the variation in filter efficiency of axial HEPA filters subjected to ACFM and SCFM flow conditions. The filter test matrix consists of axial HEPA filters rated at 1,000 and 1,500 CFM with varying filter pack types. Each filter is subjected to pressures from 14.70 psi to 11.25 psi, temperatures of 70°F to 170°F, and relative humidities of 50% to 90%. Evaluation of the effects of designating ACFM or SCFM are based upon the filter efficiencies of generated Dioctyl Phthalate (DOP) particles at a diameter of 0.3 micrometers. A correlation model is developed to convert filter efficiency and pressure drop at elevated conditions to those of standard pressure, relative humidity, and temperature.

In this work we address two problems in computational chemistry relevant to biomolecular modeling. In the first project, we consider the conformer space of melatonin as a a representative example of “real-life” flexible biomolecules. Geometries for all 52 unique conformers are optimized using spin-component scaled MP2, and then relative energies are obtained at the CCSD (T) level near the complete basis set limit. These are then used to validate a variety of DFT methods with and without empirical dispersion corrections, as well as some lower-level ab initio methods. Basis set convergence is found to be relatively slow due to internal C-H…O and C-H…N contacts. Absent dispersion corrections, many DFT functionals will transpose the two lowest conformers. Dispersion corrections resolve the problem for most functionals. Double hybrids yield particularly good performance, as does MP2.5. In the second project, we propose a simple DFT-based diagnostic for nondynamical correlation effects. Aλ= (1-TAE [ΧλC]/TAE[XC])/λ where TAE is the total atomization energy, XC the “pure” DFT exchange-correlation functional, and ΧλC the corresponding hybrid with 100λ% HF-type exchange. The diagnostic is a good predictor for sensitivity of energetics to the level of theory, unlike most of the wavefunction-based diagnostics. For GGA functionals, Aλ values approaching unity indicate severe non-dynamical correlation. The diagnostic is only weakly sensitive to the basis set (beyond polarized double zeta) and can be applied to problems beyond practical reach of wavefunction ab-initio methods required for other diagnostics.

The objective of this research is to find how world stock markets correlate with each other and what causes that correlation. Multiple dependent variables that may have a high impact on correlations are tested, with a particular focus on cross-equity holdings. All the variables but one tested significant at the accepted 90% confidence level. The model showed a negative relationship between equity holdings and stock market correlation. The results may inspire further research with more in depth analysis of international equity holdings and investor behavior in world stock markets.

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