Density functional theory-based investigation of HCN and NH<sub>3</sub> formation mechanisms during phenylalanine pyrolysis
Baizhong Sun, Chuanqun Liu, Deyong Che, Hongpeng Liu, Shuai Guo
Abstract
As sludge pyrolysis produces large amounts of toxic NH<sub>3</sub> and HCN, many works have studied nitrogen transfer during this process, commonly employing amino acids as models of sludge protein.
Topics & Concepts
PhenylalaninePyrolysisChemistryDensity functional theoryNitrogenAmino acidProcess (computing)Organic chemistryComputational chemistryBiochemistryComputer scienceOperating systemThermochemical Biomass Conversion ProcessesMass Spectrometry Techniques and ApplicationsZeolite Catalysis and Synthesis