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dc.contributor.authorHao, Zhiqian
dc.date.accessioned2014-03-04T18:56:05Z
dc.date.available2014-03-04T18:56:05Z
dc.date.issued2010-08
dc.identifier.otherhao_zhiqian_201008_phd
dc.identifier.urihttp://purl.galileo.usg.edu/uga_etd/hao_zhiqian_201008_phd
dc.identifier.urihttp://hdl.handle.net/10724/26645
dc.description.abstractA systematic modeling and simulation of cellulose hydrolysis with non-complexed cellulase is presented here. Based on previous work, full chain fragmentation model is further sophisticated with time-evolving substrate morphology, which is a direct result of continuous defragmentation and solubilization. This modification not only accounts for actual prolonged hydrolysis timeframe, but also provides an innovative approach explaining the drop in ini- tial hydrolysis rate, which is widely observed in industrial manufacturing. In addition, we present a novel site-number formalism, which keeps track of time evolution of accessible β(1,4) glucosidic bonds of different site types. Site-number formalism, unlike its predeces- sors, is presented in a considerably reduced system size, i.e. for merely a dozen ordinary differential equations (ODE) regardless of system size. The underlying local Poisson (LP) assumption is found to agree very well with exact full chain fragmentation model, under realistic experimental parameters. Furthermore, we discovered two distinctive time-frames for complete hydrolysis, associated with initial outer layer hydrolysis and more profound complete substrate hydrolysis. Future possible work and the model’s potential applications are discussed.
dc.languageeng
dc.publisheruga
dc.rightspublic
dc.subjectcellulose hydrolysis
dc.subjectsubstrate morphology
dc.subjecthydrolysis modeling
dc.subjectsite number formalism
dc.titleCellulose hydrolysis with evolving substrate morphologies
dc.typeDissertation
dc.description.degreePhD
dc.description.departmentPhysics and Astronomy
dc.description.majorPhysics
dc.description.advisorBernd Schuttler
dc.description.committeeBernd Schuttler
dc.description.committeeSteven P. Lewis
dc.description.committeeUwe Happek


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