Introduction Volatile organic compounds (VOCs) are a significant class of air pollutants that have widespread impacts on environmental pollution and human health. These organic chemicals have a high vapor pressure at room temperature, which means they can easily evaporate into the atmosphere. Understanding the sources, effects, and control of VOCs is crucial for managing air…
Various theoretical approaches based on capture collision theory have been developed to compute the rate coefficients of ion-molecule reactions in the gas phase. These theoretical methods require the electric dipole moment and polarizability of the neutral molecule as input parameters for accurate rate coefficient calculations. Given the energetic environment inside the CI-MS drift tube, rates…
These computed molecular parameters, including dipole moment, polarizability, proton affinity, and ionization energy of volatile organic compounds (VOCs), are crucial for the identification and quantification of VOCs in chemical ionization mass spectrometry. These parameters are determined using Density Functional Theory (DFT) methods implemented in software such as Gaussian and Quantum ESPRESSO. The electric dipole moment…
Volatile Organic Compounds (VOCs) are a diverse group of organic chemicals that have a high vapor pressure at room temperature, leading to significant evaporation and release into the atmosphere. They are emitted from both natural sources, such as vegetation and wildfires, and anthropogenic sources, including industrial processes, vehicle exhaust, and consumer products like paints, solvents,…
Introduction to Volatile Organic Compounds (VOCs) in the Atmosphere Volatile Organic Compounds (VOCs) are a significant group of organic chemicals characterized by their high vapor pressure at room temperature, leading to substantial emissions into the atmosphere. These compounds are composed of elements such as carbon, hydrogen, oxygen, and nitrogen, among others. The presence of VOCs…
SIFT-MS Analytic Method These Direct Injection Mass Spectrometry (DIMS) techniques rely on calibrating instruments using standards with known concentrations and protonated ion signals. Although the most accurate analysis requires calibrating the instrument for each volatile organic compound (VOC) in a complex gas mixture, this process is both labor-intensive and time-consuming. In practice, obtaining precise standards…
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