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ICAE 2012, Jul 5-8, 2012, Suzhou, China Paper ID: ICAE2012- A10732

MODELING OF THE BIOGAS PRODUCTION PROCESS- A REVIEW

1Eva Thorin, 1Eva Nordlander, 1Johan Lindmark, 1Erik Dahlquist, 1Jinuye Yan, 1,2Rebei Bel Fdhila 1

School of Sustainable Society and Technology, Mälardalen University, P. O. Box 883, SE-721 23 Västerås, Sweden, 2

ABB AB, Corporate Research, SE - 721 78, Västerås, Sweden eva.thorin@mdh.se

+4621101564

ABSTRACT

Production of biogas by digestion of organic wastes and other feedstock is one of the important technical solutions that contribute to the transform of the energy system from being fossil fuel dependent to renewable energy originated. To be fully commercial and competitive, the production of biogas needs to be further developed and optimized based on the technical, economic and environmental aspects. Thus, comprehensive understanding of fluid dynamics and microbial reactions in the digestion process is necessary to accurately and robustly model, predict and control the biogas production.

In this paper possible pathways for modeling the biogas reactor is discussed based on previous work on anaerobic digestion modeling and modeling of the fluid flow in reactors. Important parameters for modeling biogas production, with a focus on processes using waste as feedstock, are considered. Identification of knowledge gaps for the modeling of the biogas process is performed and how to overcome the obstacles is addressed.

Key words: biogas, anaerobic digestion, modeling, review, waste

NOMENCLATURE

Abbreviations

ADM1 anaerobic digestion model No. 1 ANFIS adaptive neuro-fuzzy inference system ANN artificial neural networks

ATFBR anaerobic tapered fluidised bed reactor CFD computational fluid dynamics

COD chemical oxygen demand CSTR continuous stirred tank reactor DM dry matter

FFBP feed forward back propagation HRT hydraulic retention time OLR organic loading rate OM organic matter SCOD soluble COD

TCOD total chemical oxygen demand TOC total organic carbon

TS total solids

UASB up-flow anaerobic sludge blanket VFA volatile fatty acids

VS volatile solids

Symbols

r correlation coefficient [-] R2 determination coefficient [-]

1. INTRODUCTION

Since the microorganisms in the biogas production process are sensitive to changes in their environment controlling and predicting the process is challenging. Weiland [1] mentions process monitoring and control as improvements needed for further development of the biogas production process. Process modelling can provide a better understanding of a process and its optimal working conditions. A model can also be used to control the process and predict its outcome.

In the biogas production process the organic material, mainly built up of carbohydrates, proteins and fats, is degraded in several steps to simpler compounds by microorganisms. The process can be divided into four main steps: hydrolysis, acidogenic phase, acetogenic phase and methanogenic phase. In the first step the non-water soluble carbohydrates, proteins and fats are broken down to simple sugars, fatty acids and amino acids outside the microorganisms. The products from the first step are then taken up by the microorganisms and are further degraded into short-chain organic alcohols, hydrogen and carbon dioxide. In the third step acetate is formed. In the last step methanogenic microorganisms are forming methane mainly from acetate, carbon dioxide and hydrogen gas. [2, 3].

The efficiency of the process is influenced by the availability of the microorganisms to the substrate which is dependent on the mixing in the biogas reactor and also by the type and structure of the feedstock as well as the operation condition.

In this paper previous modelling approaches are reviewed and similarities to modelling of the paper pulp process are discussed.

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2. ANAEROBIC DIGESTION MODELLING

The development of mathematical models for describing anaerobic digestion started already in 1960´s. A model developed by Andrews in 1969 is considered to be one of the first [4].The first presented models were based on the concept of a rate-limiting step and the aceticlastic methanogenic process step as the limiting one. Later it was found that this is not always true and the first step, the hydrolysis was instead considered to be limiting [5].

How the substrate is characterized is a central aspect in the biogas production modelling and three models using advanced characterization are Angelidaki et al. model, Siegrist et al. model and Anaerobic Digestion Model No. 1(ADM1) [5]. Angelidaki et al characterize the substrate by dividing it into an organic and inorganic part where the organic part includes carbohydrates, proteins, lipids and their degradation intermediates and the inorganic part includes ammonia, phosphate, carbonate, hydrogen sulfide, anions and cations. The conversion of the substrate to biogas is then described with six kinetic equations defining six conversion steps; (1) hydrolysis, (2) acidogenic glucose-degrading, (3) lypolytic, (4) LCFA-degrading acetogenic, (5) VFA- degrading acetogenic and (6) aceticlastic methanogenic steps [6].A more detailed description of the development of kinetic based models from one rate-limiting step to more complex models can be found in [7, 8, 9].

2.1 THE ADM1 MODEL

ADM1 is the result of a common effort by several researchers to form a common platform for modelling of anaerobic digestion. Both Angelidaki and Siegrist participated in this work [10].

The IWA Task Group for Mathematical Modelling of Anaerobic Digestion Processes was formed in 1998 within the International Water Association (IWA) to create a common platform for anaerobic process modelling and simulation. The model was first presented in 2001 and is called Anaerobic Digestion Model No. 1 (ADM1). Both biochemical processes (involving living organisms) as well as physicochemical processes (not involving living organisms) is included in the model. The biochemical processes includes disintegration, hydrolysis, acidogenesis, acetogenesis and methanogenesis and the physicochemical processes concerns liquid-gas processes (liquid-gas transfer) and liquid-liquid processes (ion association/dissociation). Solid-liquid processes are not included due to difficulties in describing them [10].

The ADM1 has been used and modified by several researchers to model different types of biogas production processes and different substrates for example a two-step digester with a thermophilic pre-treatment step and a mesophilic main treatment step, co-digestion of organic waste with activated sludge, co-digestion of cattle manure and energy crops, dry digestion of the organic fraction of municipal waste [11, 12, 13, 14, 15].

One of the greater difficulties with ADM1 is that detailed characterization of the substrate is needed requiring measurements that are not usually made when investigating a biogas plant or wastewater treatment plant and that might not be possible to do on a regular basis. [16, 17, 18]. There have been some attempts to circumvent this problem. One method is to characterize the substrate by measurements of Chemical Oxygen Demand (COD), Total Organic Carbon (TOC), organic nitrogen (Norg) and alkalinity (Alk). The problem to use COD for characterisation of more solid substrates has also been pointed out [14]. There are also suggested procedures including general transformer models to interface ADM1. [17, 19, 20]

Other weaknesses in ADM1 that has been pointed out are inaccuracies in the stoichiometry, some problems with the solid retention time and that there is a lack of restrictions for the thermodynamic boundaries [17].

2.2 MODELLING BASED ON EMPIRICAL

VALUES

For prediction of process performance during different operation conditions and for optimization of processes models based on correlation of empirical values can be used. Khataee and Kasiri [21] made a review of studies on modelling of biological water and waste water treatment processes with Artificial neural networks (ANN). They conclude that ANN models can predict the behaviour of the processes based on experimental data with high correlation coefficients and that additional information about the mechanisms and kinetics of the biological reactions is not necessary. However even though the review by Khataee and Kasiri includes some studies on anaerobic digestion processes no study has the biogas production as output parameter. Some examples on studies on modelling of biogas production based on empirical data are shown in table 1.

In a previous study [22] we have used statistical based models (ANN) to model the biogas production in a full-scale biogas digester using process data from several years of running the digester. The results of this study showed that the general trend and the average level could be followed but the extreme points in the biogas production could not be followed.

According to Waewsak et al. [ 23 ] there are many examples of control systems developed for anaerobic digestion systems but they are often too complex and expensive. They present a control system based on the integration of a neural network model and a fuzzy logic control system which show good results for a lab-scale anaerobic reactor, built as a hybrid of a sludge bed and fixed film reactor.

2.3 OTHER MODELING APPROACHES

There are some examples on simplified models relating the biogas yield to the loading rate of the process or mass balance based. One example is a first order equation used by Yusuf and Ify [24] for co-digestion of cow dung, paper

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Table 1 Models for describing biogas production processes based on fitting of empirical values

Model Feedstock/ Process Input Output Validatio

n

Uncertainty Ref. ANN, multilayer,

one and two hidden layers

sludge/ full-scale waste water treatment plant, digester volume 10800

m3

temp., pH, flow rate, VFA, alkalinity, DM,

OM 196 data points effluent VS, CH4 prod. 49 data points r=0.89 for VS r=0.71 for CH4 [25 ANN, multilayer, two hidden layers

organic waste/ full-scale plant (60 tons/day), wet

process temp, TS, VS, pH 177 data points CH4 prod. 50 data points R2=0.87 [26] Fuzzy-logic, MIMO (multiple inputs and multiple outputs) + non-linear regression analysis molasses wastewater/ pilot plant, 0.090 m3, UASB

OLR, TCOD removal rate, alkalinity, pH 134 data points biogas prod., CH4 prod. 40 data points R2=0.98, r=0.97 for both biogas and CH4 R2=0.87, r=0.91 for biogas R2=0.89, r=0.92 forCH4 [27] ANN, multilayer, one hidden layer

molasses/ lab. -scale plant, 0.0075 m3, UASB, thermophilic

OLR, temp. Influent alkalinity + pH, effluent VFA + alkalinity +pH, 60 data points.

biogas prod. 60 data points r= 0.681 r=0.927 for 5-days moving average [28] Multiple linear regression

potato processing waste water/ full-scale plant,

600m3 UASB

flow rate, temp. pH, VFA, alkalinity, influent TCOD + SCOD + temp. + pH, effluent TCOD +

SCOD 2-year historical data

biogas prod. ? χ2 test=

0.28-3.9

[29]

ANN, multilayer, one hidden layer

cattle dung + acetate/lab- scale plant

Influent dung dilution rate or influent acetate

conc., 500 data points and 100 data points

biogas prod. ? MSE = 0.0053-0.0229 [30] Non-linear regression, Levenberg– Marquardt method poultry manure wastewater/pilot scale, 0.0157 m3, UASB HRT, influent COD, 9 data points biogas prod., COD conc. 9 data points (same as model data) R2=0.9954 R2=0.9416 [31]

ANFIS primary sedimentation sludge/ full-scale waste water treatment plant, digester volume 6750 m3

pH, influent VS, flow rate, temp., effluent VS (for biogas prod. model),

132 data points effluent VS biogas prod. 32 data points R2=0.80 R2=0.90 [32]

ANN, one hidden layer

simulated sago industry waste water/lab-scale,

ATFBR, 0.0078 m3

OLR, pH, org. load. removal rate biogas prod. 30 % of data R2=0.9999 R2=0.9997 [33] [34] FFBP neural network

primary and surplus sludge from waste water

treatment/lab-scale CSTR, 0.02 m3

OLR at current and 2 previous time points+ pH, VFA, biogas prod., biogas comp. acetic acid

and propionic acid at previous time point, 500

data points biogas prod. biogas comp. 350 data points regr. coeff.=0.90 regr. coeff.=0.80 [35] [36]

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waste and water hyacinth in batch reactors. Mass balance based approaches has also been used for calculation of biogas production [17, 37, 38]. The material balance model described by Kleerebezem and van Loosdrecht [17] has been tested by the authors for a full-scale biogas digester [39] and the results show that the model follows the production trend but the level is hard to predict.

3. MODELLING OF FLUID FLOW

3.1 THE IMPORTANCE OF MIXING

To increase the process efficiency of the biogas production process, one important issue is to increase the reaction rate by optimizing the mixing and gas distribution in the digester. A good and even mixing is important for distribution of microorganisms and nutrition, inoculation of fresh feed, homogenizing of the material and for the removal of end products of the metabolism [3]. Therefore how well the total volume of the digester is being used for the reactions is important for the biogas production.

To get a good biogas production there is a general recommendation from the EPA suggesting a power input of 5 to 8 W/m3 of digester volume [40]. There are researchers that argue that too much mixing could be bad for the process and that a reduction in mixing intensity leads to better reactor performance [41, 42]. The microorganisms are sensitive to too intense mixing which can destroy them [3].Bridgeman [43] studied the impact of mixing on the biogas yield from sewage sludge with a TS of 2.5 % in a laboratory reactor mixed with an impeller. They could not see any difference in biogas production without mixing and with mixing up to 100 rpm.

Mixing in a digester can be performed by mechanical mixing of different sorts, hydraulic mixing by using pumps and pneumatically by using the gas itself for mixing the liquid. Mechanical mixing with different kinds of agitators is the most common type of mixing being used in Europe today [3]. Pneumatically forced circulation stands for about 12 % of the used mixing systems in Europe. There are three types of gas-lift mixing being used in digesters, the free and unconfined release of gas from the bottom, confined gas release inside a draft tube and the use of big bubbles to create a piston pumping action [40]. An advantage of the pneumatically forced circulation is that there are no moving parts in the digester that might break or collect debris and get tangled up.

Research done to study the gas-lift mixing of a digester using a draft tube has revealed that a large portion of the total volume can in fact be poorly mixed [44,45] and especially the surfaces around the bottom. Studies show that poorly mixed zones can be as large as 33,6 % of the digester volume [41]. According to [40] there is no significant reduction in the stagnant zones of the digester by increasing the gas flow rate to three times its original level, so increasing the amount of gas injected is not a good alternative. In the stagnant zones the mixing of new material and microorganisms is low to non-existent and to

utilize the digesters total volume and to avoid sedimentation these stagnant zones should be minimized. Deposit of material at the bottom near to the walls of the digester is to be expected according to experiments done to study the gas mixing within a draft tube [41].

3.2 COMPUTATIONAL FLUID DYNAMIC

MODELLING

The digester is basically a black box with few or no possibilities to evaluate the mixing quality. The hydraulic retention time, the dispersion of the feed, stagnant zones and short-circuiting can be analyzed using for example a tracer method. A chemical tracer (e.g. lithium chloride) is mixed with the injected liquid and by analyzing its concentration at the outlet, the mixing can be evaluated. However, the methods are time-consuming and costly.

Computational Fluid Dynamics (CFD) approach has been proposed by many researchers as an alternative to some of the costly measurements performed on- or off-line. In this simulation method the main design and geometrical details and particularities of the biogas reactor can be taken into account. It is also possible to properly represent the operating characteristics as boundary and initial conditions. [46] and [47] have used a CFD model to study the retention time and dispersion of the feed inside a digester. A tracer has been injected with the feed in the simulation domain to analyze the effect that the mixing has on dispersion of nutrient. This work has provided information on how the distribution of nutrition looks like and short-circuiting effects in a pneumatically mixed digester.

The method is based on the numerical solution of mass, momentum, turbulence and energy equations using finite volumes, finite differences or finite element discretization techniques among others. The main modeling possibilities for the multiphase mixture in the bioreactor are:

1) Eulerian/Eulerian where the injected gas is assumed to be a continua similar to the liquid phase. The phases transport equations are coupled via interphase exchange terms that account for all forces, mass and energy between the gas and the liquid.

2) Eulerian/Lagrangian where the injected gas is treated as dispersed bubbles which are individually tracked in the liquid during the simulation.

3) Volume Of Fluid (VOF) which is an interface tracking method where the interface between gas and liquid is reconstructed and the bubbles and/or gas pockets are automatically generated under the influence of the fluids and flow characteristics as well as the surface tension, [48] and [49]. This method needs a very refined mesh and can be more costly in terms of CPU time compared to the other methods. Meroney and Colorado [46] successfully used a combination VOF/Lagrangian where the top gas in the reactor is considered continuous having a distinct interface with the liquid and the injected gas is assumed dispersed and tracked with a Lagrangian method. Table 2 shows examples of some studies using CFD for modeling biogas processes.

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Table 2 Models of fluid flow in biogas reactors

Model Fluid/

Process

Geometry Validation Uncertainty Ref.

CFD, five different turbulence models, non-Newtonian flow sewage sludge/ laboratory vessel with impeller D=0.16 m, H=0.305 m, mixing speeds, 20–200 rpm.

power use for mixing, measurement of torque applied % difference= 13-221 [43] CFD, large eddy simulation, non-Newtonian flow Manure slurry/impeller D=0.152 m, H=0.26 m, 25  angle bottom, 500 rpm computer automated radioactive particle, tracking and computed

tomography

good agreement [50]

CFD, single-phase, laminar flow,

non-Newtonian flow

sludge /full-scale plant, draft tube mechanical mixer,

1100 m3

D=1.1 m, H=15.5 m, cone in top and bottom, mixing rate

8-24 day-1

injected tracer r=0.95 [47]

CFD, standard k–3 turbulence model

sludge/ model + full-scale tanks, single +

multiple draft impeller tube mixers,

1081-8823 m3 D=13.7-33.5 m, H=7.3-10.1 m, cone in bottom, power to volume ratio= 4.1-6.9 W/m3

tracer, HRT good agreement [46]

CFD, three-dimensional steady-state, k–3 turbulence

model (liquid phase)

water/gas lift mixing D=0.2032 m, H=0.295 m, flat and 60  angle bottom, gas velocity 0.024-0.072 cm/s computer automated radioactive, particle tracking, with sludge

good agreement for flow pattern, loc. of dead zones, trends of vel. prof., not god match for, vel.

[51]

To study the mixing dynamics the Växtkraft biogas reactor (The biogas plant of the city of Västerås in Sweden) [48] was simulated for five different flow rates of recirculated gas (air) using a transient, turbulent two-phase flow model. The results were used to visualize and analyze the local process changes as shown in figures 1 and 2. CFD is a promising tool, method and approach where the design geometrical details, the liquid flow, the gas flow and their strong interaction can be implemented in a single package. Integrating the bio-reaction with keeping a reasonable simulation cost is at present the challenge for the scientific community. However, CFD uses a large number of empirical or semi-empirical models where unknown or poorly estimated constants exist. These additional parameters have to be identified by other means. In [52] the local measurements in an air/water experimental facility have been used for validation of a CFD simulation case appropriate for bioreactors or digesters.

4. COMBINATION

OF

MICROBIOLOGICAL

REACTION MODELS AND FLUID FLOW

MODELS

A complete model of the process in a biogas production reactor would include a detailed description of both the microbiological processes degrading the organic material as well as description of the physical transport of material and heat in the reactor.

For solid wastes, such as municipal solid waste, the dry digestion process is an alternative to the wet process. Some

0 0,05 0,1 0,15 0,2 0,25 0 0,2 0,4 0,6 0,8 1 1,2

Gas Flow rate (%)

R e a c to r M e a n Va lu e Liquid Speed

Liquid Turbulent kinetic Energy

Figure 1. The figure shows the mean speed and turbulent kinetic energy of the liquid at different gas flow rates [48].

Figure 2. The figure shows the gas distribution at different flow rates showing the activity at the surface for decreasing gas flow rate from left to right [48]. (The coloured entities are gas bubbles and pockets.)

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studies on combining models of the liquid flow through the solid substrate matrix and the biological reactions taking part in the material in the dry digestion process can be found. Nopharantana et al. [ 53 , 54 ] created a model describing the operation of a sequential leach bed for digestion of the organic fraction of municipal waste. The flow is modeled as flows through two interacting domains, one with macro-pores and one with intra-particle micro-pores. The biological reactions are described with a dynamic mass balance model represented by five rate equations. The substrate is represented by two components, an insoluble part and a soluble part.

A mathematical model was proposed by Muha et al. [55]. The model couples microbiological reactions with transport of process liquid and with the variation of population of the microorganisms living on the plastic tower packing of the reactor. Keshtarkar et al [56] combined kinetic models with a two-region liquid mixing model for describing biogas production from cattle manure in a continuously stirred tank reactor. Vavilin et al. [57] also studied the continuously stirred tank reactor and the combination of kinetic models and 2D and 3D transport equations.

CFD modelling has been combined with mass balance based models for plug-flow reactors using manure as feedstock [58]

Another area where integration of fluid flow modelling and kinetic models describing degradation/conversion of material is done is modelling of pulp digesters. In the next chapter some experiences from this area is described.

5. MODELLING OF PULP DIGESTERS

There are several factors that complicate modelling and simulation of the pulp and paper process such as raw material characteristics and that it is hard to quickly and automatically characterise it, time delays in the process, high degree of interaction between production process steps, and that the quality of the end product is dependent on many process parameters in a complex and non-linear way [59].

Blanco et al. [59] give an overview of the use of modelling and simulation in the pulp and paper industry and they also summarise the work within this area made by the research group represented by the authors of this paper. They mention that the advances during later years for simulation of the pulping process have concerned handling multicomponent balances with complex chemical reactions but that still no model can fully describe the processes and that improvements of steady –state modelling is still crucial for achieving better design of pulp and paper processes. They point out the dependency of the quality of the modelling result on the available data. Some data of interest for the modelling is not measured and the expertise needed for analysing the available data can also be lacking. Among the approaches mentioned for modelling are classical statistical methods as well as more advanced methods such as multivariate data analysis and artificial neural networks, physic-chemical deterministic models and

combinations of statistical methods and physic-chemical based methods. Concerning artificial neural networks feed-forward ANNs with back propagation algorithms is said to be the most used in pulp and paper industry.

About 20 simulation software programs used for pulp and paper processes have been found [59] where about half of them are specialised for the pulp and paper process. Further they divide the modelling into two groups: system or process level modelling usually based on mass and energy balance calculations and unit operation level models based on more detailed calculations. Both non-dynamic modelling such as equilibrium thermodynamics and steady-state process simulation and dynamic modelling including reaction kinetics, dynamic process simulation and CFD modelling are used. The latter are used for process analysis and troubleshooting. The level of dynamics in the models used range from tank dynamics, 1D pressure flow dynamics to 3D pressure –flow dynamics. Quality is the most important parameter both for design and operation and models to connecting the properties of the product to the process conditions is still under development and it is mentioned that the complex chemistry complicates the possibility for correlation. For process control two approaches are mentioned: using models based on calibration with real process data and to use physical models tuned with process data.

In previous work done by the research group, of which the authors to this paper are one part, a physical model of a continuous pulp digester has been built. The digester has been divided into five sections which are then divided into five vertical volume elements (2D model). Each volume element is modeled with mass and energy balances based on the inflow, outflow and chemical reactions. The rates of the chemical reactions are correlated to the physical dimension of the wood chips, concentrations of the reaction reactants and products, and temperature. The digestion of the woodchips is modeled as a two-step process with first splitting the lignin from the fibers by hydrogen sulfide and then extracting the lignin in an alkaline environment. The reactivity and the properties of the wood chips are represented by an empirical constant and the temperature dependency of the reaction rate is given by the Arrhenius expression. The input to the model is inflow of woodchips and chemicals, size distribution, and temperature and the output is the amount of lignin that is dissolved which is connected to the quality parameter called Kappa number. The empirical constant is adjusted with the help of measurements of the Kappa number of the fibers leaving the digester. To use the model for diagnostics of the process performance also pressure- flow calculations are included. [59]

A conclusion of Blanco et al. is that to get more robust models for the pulp and paper industry a move from statistical to more physical models is needed.

The main similarity between the biogas digester and pulp digester is that an organic material is degraded in a batch or continues process. The biogas production process is usually small scale compared to the pulp process. Usually a lot of

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data is measured on-line in a pulp process while that is not as common in biogas processes. Also automatic control systems are not so well developed for the biogas process. [60]

6. RESULTS AND DISCUSSION –SUGGESTED

FURTHER APPROACH

The development of mathematical models for describing anaerobic digestion has been going on during a long time. The most well-known model including biochemical processes and physicochemical processes is the ADM1 model. However, for practical applications the model requires a too detailed substrate characterisation. Another modelling approach is to use statistical models. The drawback with those models is the difficulty to generalise to several process designs and situations.

There are several similarities between the pulp process and the biogas production process. One of them is the lack in data to be used in detailed modelling of the process.

While in the pulp process modelling the focus is often on product quality it is mainly on product quantity in the biogas process modelling. Still a similarity is the relation of the product quality to complex chemical reactions in the pulp process and the relation of the product quantity to complex microbiological reactions in the biogas process.

In the pulp process modelling a need towards more physical models has been identified while for the anaerobic process the available detailed models have been pointed out to be too complex for practical use. Therefore a combination of empirical and physical/biological models seems to be a possible approach.

7. CONCLUSIONS

A key issue in modelling of biogas production processes is the substrate characterisation. The most well-known model describing the digestion process, ADM1, requires a complex substrate characterisation. Many models based on the ADM1 can be found. Further development of the combination of fluid flow and the degradation reaction models could be a possible way to better describe what is going on in a full scale biogas plant since the contact between the microorganism and substrate and the local environment is important for the biogas production potential of the plant.

There is a need for development of models that can be practical used in full-scale biogas plants for optimization and control.

It would be interesting to also evaluate and further develop the approach of combined empirical and physical/biological models suggested for example for modelling of the pulp process.

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Figure

Table 1 Models for describing biogas production processes based on fitting of empirical values
Figure 1. The figure shows the mean speed and turbulent  kinetic energy of the liquid at different gas flow rates [48]

References

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