Population balance approach for the modelling of enzymatic hydrolysis of cellulose

In this numerical work, a population balance-based model is proposed in order to describe the cellulose particles size evolution during the enzymatic hydrolysis. Two kinds of actions are considered: endoglucanase activity that cleaves randomly β-1,4-glycosidic linkages of cellulose, and exoglucanase activity which reduces the particles size with chain-end-cleaving producing cellobiose (a dimer of two glucoses linked by a β-1,4-glycosidic bond). A discretization method with a fixed pivot technique is used for the endoglucanase action and a moving pivot technique for exoglucanase attack. The numerical resolution is then validated by analytical solutions available in literature. Afterwards, the combination of the two actions is investigated for different enzyme ratios in order to reproduce the endo-exo synergism numerically. Since the biodegradation of cellulose releases D-glucose as a final product due to β-glucosidase which hydrolyzes cellobiose into two molecules of glucose, numerical kinetic model predicting the fractional conversion of cellulose is derived from the population balance developed model. The enzymes activity is strongly affected by the accumulation of the end-products (cellobiose and glucose) during the hydrolysis, the inhibition effect is thereby incorporated in the model. The numerical model prediction is compared to experimental data in the case of combined activity and shows a promising approach for the modelling of cellulose-cellulase systems.

[1]  M. Moo-young,et al.  Kinetics of enzymatic hydrolysis of cellulose: Analytical description of a mechanistic model , 1978, Biotechnology and bioengineering.

[2]  H. Ooshima,et al.  Kinetic study on enzymatic hydrolysis of cellulose by cellulose from Trichoderma viride , 1983, Biotechnology and bioengineering.

[3]  Robert M. Ziff,et al.  The kinetics of cluster fragmentation and depolymerisation , 1985 .

[4]  M. K. Hayes,et al.  Hydrolysis of Cellulose by Saturating and Non–Saturating Concentrations of Cellulase: Implications for Synergism , 1988, Bio/Technology.

[5]  A. Gusakov,et al.  Decrease in reactivity and change of physico-chemical parameters of cellulose in the course of enzymatic hydrolysis , 1989 .

[6]  A. Converse,et al.  Kinetics of enzymatic hydrolysis of lignocellulosic materials based on surface area of cellulose accessible to enzyme and enzyme adsorption on lignin and cellulose , 1990 .

[7]  Charles E. Wyman,et al.  Production of Alternative Fuels: Modeling of Cellulosic Biomass Conversion to Ethanol , 1992 .

[8]  W. Steiner,et al.  Cellulose hydrolysis by the cellulases from Trichoderma reesei: a new model for synergistic interaction. , 1994, The Biochemical journal.

[9]  J. Saddler,et al.  Evaluation of the enzymatic susceptibility of cellulosic substrates using specific hydrolysis rates and enzyme adsorption , 1994 .

[10]  D. Ramkrishna,et al.  On the solution of population balance equations by discretization—II. A moving pivot technique , 1996 .

[11]  Y. Amano,et al.  Synergistic actions of exo-type cellulases in the hydrolysis of cellulose with different crystallinities , 1997 .

[12]  D. Ramkrishna,et al.  On the solution of population balance equations by discretization - III. Nucleation, growth and aggregation of particles , 1997 .

[13]  Benjamin J. McCoy,et al.  Time evolution to similarity solutions for polymer degradation , 1998 .

[14]  F. Tjerneld,et al.  Hydrolysis of microcrystalline cellulose by cellobiohydrolase I and endoglucanase II from Trichoderma reesei: adsorption, sugar production pattern, and synergism of the enzymes. , 1998, Biotechnology and bioengineering.

[15]  J. Saddler,et al.  The effect of fiber characteristics on hydrolysis and cellulase accessibility to softwood substrates , 1999 .

[16]  F. Vahabzadeh,et al.  A model for the rate of enzymatic hydrolysis of cellulose in heterogeneous solid-liquid systems , 2000 .

[17]  P. Kleinebudde,et al.  Influence of cellulose type on the properties of extruded pellets. Part I. Physicochemical characterisation of the cellulose types after homogenisation , 2000 .

[18]  Dong Won Kim,et al.  Description of cellobiohydrolases Ce16A and Ce17A fromTrichoderma reesei using Langmuir-type models , 2001 .

[19]  Benjamin J. McCoy,et al.  Discrete and continuous models for polymerization and depolymerization , 2001 .

[20]  Ye Sun,et al.  Hydrolysis of lignocellulosic materials for ethanol production: a review. , 2002, Bioresource technology.

[21]  Johan Karlsson,et al.  A model explaining declining rate in hydrolysis of lignocellulose substrates with cellobiohydrolase I (Cel7A) and endoglucanase I (Cel7B) of Trichoderma reesei , 2002, Applied biochemistry and biotechnology.

[22]  S. Allen,et al.  Kinetic dynamics in heterogeneous enzymatic hydrolysis of cellulose: an overview, an experimental study and mathematical modelling , 2003 .

[23]  Rui M. F. Bezerra,et al.  Discrimination among eight modified michaelis-menten kinetics models of cellulose hydrolysis with a large range of substrate/enzyme ratios , 2004, Applied biochemistry and biotechnology.

[24]  L. Lynd,et al.  Toward an aggregated understanding of enzymatic hydrolysis of cellulose: Noncomplexed cellulase systems , 2004, Biotechnology and bioengineering.

[25]  L. Lynd,et al.  A functionally based model for hydrolysis of cellulose by fungal cellulase , 2006, Biotechnology and bioengineering.

[26]  C. Felby,et al.  Enzymatic conversion of lignocellulose into fermentable sugars: challenges and opportunities , 2007 .

[27]  Xinhao Ye,et al.  Quantitative determination of cellulose accessibility to cellulase based on adsorption of a nonhydrolytic fusion protein containing CBM and GFP with its applications. , 2007, Langmuir : the ACS journal of surfaces and colloids.

[28]  M. Holtzapple,et al.  Structural features affecting biomass enzymatic digestibility. , 2008, Bioresource technology.

[29]  Jay H. Lee,et al.  Modeling cellulase kinetics on lignocellulosic substrates. , 2009, Biotechnology advances.

[30]  Robert H. Davis,et al.  Empirical Evaluation of Inhibitory Product, Substrate, and Enzyme Effects During the Enzymatic Saccharification of Lignocellulosic Biomass , 2010, Applied biochemistry and biotechnology.

[31]  Frédéric Monot,et al.  Comparative kinetic analysis of two fungal β-glucosidases , 2010, Biotechnology for biofuels.

[32]  Wenju Jiang,et al.  In-depth investigation of enzymatic hydrolysis of biomass wastes based on three major components: Cellulose, hemicellulose and lignin. , 2010, Bioresource technology.

[33]  H. Blanch,et al.  A mechanistic model of the enzymatic hydrolysis of cellulose , 2010, Biotechnology and bioengineering.

[34]  Jay H. Lee,et al.  Cellulose crystallinity – a key predictor of the enzymatic hydrolysis rate , 2010, The FEBS journal.

[35]  D. Klingenberg,et al.  The effect of high intensity mixing on the enzymatic hydrolysis of concentrated cellulose fiber suspensions. , 2011, Bioresource technology.

[36]  Nilay Shah,et al.  Enzymatic hydrolysis of cellulose part II: Population balance modelling of hydrolysis by exoglucanase and universal kinetic model , 2011 .

[37]  N. Shah,et al.  Modelling enzymatic hydrolysis of cellulose part I: Population balance modelling of hydrolysis by endoglucanase , 2011 .

[38]  M. M. Don,et al.  Kinetic model for the hydrolysis of sterilized palm press fibre , 2011 .

[39]  Xuebing Zhao,et al.  Biomass recalcitrance. Part I: the chemical compositions and physical structures affecting the enzymatic hydrolysis of lignocellulose , 2012 .

[40]  B. Pletschke,et al.  A review of lignocellulose bioconversion using enzymatic hydrolysis and synergistic cooperation between enzymes--factors affecting enzymes, conversion and synergy. , 2012, Biotechnology advances.

[41]  Jay H. Lee,et al.  Elucidation of cellulose accessibility, hydrolysability and reactivity as the major limitations in the enzymatic hydrolysis of cellulose. , 2012, Bioresource technology.

[42]  Junwei Zhou,et al.  Effects of pH on the hydrolysis of lignocellulosic wastes and volatile fatty acids accumulation: the contribution of biotic and abiotic factors. , 2012, Bioresource technology.