The New Jersey Institute of Technology's
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Title:	A detailed parameter study into the dermal absorption of chemical warfare agents and the effects of pharmacokinetics
Author:	Lear, Koko
View Online:	njit-etd2022-004 (xxiii, 85 pages ~ 2.4 MB pdf)
Department:	Department of Chemical and Materials Engineering
Degree:	Master of Science
Program:	Pharmaceutical Engineering
Document Type:	Thesis
Advisory Committee:	Simon, Laurent (Committee chair) Voronov, Roman S. (Committee member) Basuray, S. (Committee member) Armenante, Piero M. (Committee member)
Date:	2022-05
Keywords:	Chemical warfare agents Mathematical modeling Volatile compounds Dermal exposure Diffusion Evaporation
Availability:	Unrestricted
Abstract:	Chemical warfare agents (CWAs) are substances of varying toxicity profiles. These chemicals exhibit complex dynamics and pose a serious health risk when released into the environment. A mathematical model based on Fick’s second law of diffusion was developed to comprehend how these compounds were absorbed into the skin. The analysis applied to both small and large doses and, successfully, predicted experimental results. This work also includes the effects of CWA physicochemical properties on evaporation and dermal absorption through the stratum corneum. A sensitivity analysis was conducted to assess the impacts of small variations in the initial dose, environmental conditions, and key model parameters (e.g., diffusion coefficient) on the permeation kinetics. In addition, a concept-based assessment about the roles of skin metabolism and binding is also presented. Our results show that the diffusion coefficient, the ratio of the steady-state evaporation rate to the steady-state absorption rate, and the initial dose impact the cumulative amount of permeant absorbed or evaporated.