Module 9001 Mass Balance

Paul Ashall, 2008

The accounting of all mass in a chemical/pharmaceutical process is referred to as a mass (or material) balance.

Paul Ashall, 2008

Uses
• ‘day to day’ operation of process for monitoring operating efficiency • Making calculations for design and development of a process i.e. quantities required, sizing equipment, number of items of equipment

Paul Ashall, 2008

Simple example – batch mixing process
200 kg of a 40% w/w methanol/water solution is mixed with 100 kg of a 70% w/w methanol/water solution in a batch mixer unit. What is the final quantity and composition?

Paul Ashall, 2008

continued
Total initial mass = total final mass = 300 kg Initial methanol mass = final methanol mass 80 + 70 = final methanol mass = 150 kg Therefore final composition of batch is (150/300) x 100 = 50 % by wt.

Paul Ashall, 2008

How much of each is required? Paul Ashall. sodium hydroxide (NaOH) solution is required. 20% sodium hydroxide solution in water and pure water are available.Exercise 1000 kg of 8% by wt. 2008 .

Batch processes Batch processes operate to a batch cycle and are non-steady state. Paul Ashall. Materials are added to a vessel in one operation and then process is carried out and batch cycle repeated. Integral balances are carried out on batch processes where balances are carried out on the initial and final states of the system. 2008 .

2008 .Batch cycle • Sequence of operations/steps repeated according to a cycle • Batch cycle time • Batch size Paul Ashall.

Simple batch reaction cycle 3 steps Add reactants etc reaction Empty reactor Next cycle Start cycle t=0 t. finish cycle Paul Ashall. 2008 .

Paul Ashall. 2008 .Continuous processes These processes are continuous in nature and operate in steady state and balances are carried out over a fixed period of time. Materials enter and leave process continuously.

Law of conservation of mass When there is no net accumulation or depletion of mass in a system (steady state) then: Total mass entering system = total mass leaving system or total mass at start = total final mass Paul Ashall. 2008 .

Apply to total mass and component mass Paul Ashall. 2008 .General mass balance equation Input + generation – output – consumption = accumulation Notes: 1. If there is no chemical reaction then these terms are zero. 2. Apply to a system 3. generation and consumption terms refer only to generation of products and consumption of reactants as a result of chemical reaction.

2008 .Definitions • • • • System – arbritary part or whole of a system Steady state/non-steady state Accumulation/depletion of mass in system Basis for calculation of mass balance (unit of time. batch etc) • Component or substance Paul Ashall.

Exercise 1000 kg of a 10 % by wt. Calculate the product mass and the mass of water evaporated from the evaporator. Paul Ashall. sodium chloride solution is concentrated to 50 % in a batch evaporator. 2008 .

2008 .Mixing of streams F2 F1 F4 F3 Paul Ashall.

Example Calculate E and x evaporator feed E. composition x% Fresh feed 1000kg. 10% satd. soln. Paul Ashall. 15% by wt sodium hydrogen carbonate Recycle stream 300 kg. 2008 .

Flowsheets • Streams • Operations/equipment sequence • Standard symbols Paul Ashall. 2008 .

Flowsheets • Process flow diagram • PID Paul Ashall. 2008 .

reagents. solvents.Typical simple flowsheet arrangement Recycle of unreacted material reactor Fresh feed (reactants. catalysts etc) Separation & purification product waste Byproducts/coproducts Paul Ashall. 2008 .

2008 .Exercise A 1000 kg batch of a pharmaceutical powder containing 5 % by wt water is dried in a double cone drier. After drying 90 % of the water has been removed. Calculate the final batch composition and the weight of water removed. Paul Ashall.

Paul Ashall.Exercise – batch distillation 1000 kg of a 20% by wt mixture of acetone in water is separated by multistage batch distillation. The top product (distillate) contains 95% by wt. acetone and the still contains 2% acetone. 2008 . Calculate the amount of distillate.

2008 . where equilibrium data is often expressed in mole fractions. Paul Ashall. Distillation is an example.Use of molar quantities It is often useful to calculate a mass balance using molar quantities of materials and to express composition as mole fractions or mole %.

Molar units • A mole is the molecular weight of a substance expressed in grams • To get the molecular weight of a substance you need its molecular formula and you can then add up the atomic weights of all the atoms in the molecule • To convert from moles of a substance to grams multiply by the molecular weight • To convert from grams to moles divide by the molecular weight. 2008 • Mole % is mole fraction multiplied by 100 . • Mole fraction is moles divided by total moles Paul Ashall.

2008 .Molar units Benzene is C6H6. The molecular weight is (6x12) + (6x1) = 78 So 1 mole of benzene is 78 grams 1 kmol is 78 kg Paul Ashall.

Calculate the quantities of top and bottom products and the composition of the bottom product.95. 90 % of the benzene is in the top product (distillate). Paul Ashall. The top product has a benzene mole fraction of 0. 2008 .Exercise – batch distillation 1000 kmol of an equimolar mixture of benzene and toluene is distilled in a multistage batch distillation unit.

It is required to crystallise 100 kg KCl from this solution. To what temperature must the solution be cooled? Paul Ashall.Mass balance . 2008 .crystalliser A crystalliser contains 1000 kg of a saturated solution of potassium chloride at 80 deg cent.

5 42.6 40 30 20 10 37 34 31 Paul Ashall.6 .3 45.1 48. 2008 0 27.T deg cent Solubility gKCl/100 g water 80 70 60 50 40 51.

e.e.62 g KCl/100g water which is 36 g KCl/100g. Crystallising 100 kg out of soln leaves a satd soln containing 238 kg KCl and 662kg water i. Paul Ashall. 33.1)x100 % KCl i. So temperature required is approx 27 deg cent from table.8% by wt So in 1000 kg there is 338 kg KCl & 662 kg water.1/151. 2008 .At 80 deg cent satd soln contains (51. 238/6.

2008 .Mass balance filtration/centrifuge wash water/solvent feed suspension solid waste water filtrate Paul Ashall.

2008 Water 300 kg API 448 kg Impurity 5 kg .Filtration 5000 kg DM water F1 Impurity 55 kg Water 2600 kg API 450 kg Water 7300 kg Impurity 50 kg API 2kg Paul Ashall.

Mass balance .drier water/evaporated solvent feed product Paul Ashall. 2008 .

S – extracting solvent Paul Ashall. B – solute. 2008 .Mass balance – extraction/phase split A+B A+B S S+B A – feed solvent.

immiscible solvents) feed E1 raffinate solvent extract Paul Ashall. 2008 .Example (single stage extraction.

2008 .5 = 175. xf = 0. where y is kgAPI/kg chloroform in extract and x is kg API/kg water in raffinate.5x1 + 596y1 19.72x1 x1 = 0.28 kg API Note: chloroform and water are essentially immiscible Paul Ashall.72x.F = 195 kg.84 kg API and E is 596 kg chloroform + 17.5x1 + 596. Total balance 195 + 596 = E + R API balance 19.5 = 175.11 kg API/kgwater S = 596 kg chloroform y = 1.1.029 R is 175.5 kg water + 2.0162 and y1 = 0.

Mass balance – absorption unit exit gas stream feed solvent feed gas stream waste solvent stream Paul Ashall. 2008 .

2008 .Mass balances – multiple units • Overall balance • Unit balances • Component balances Paul Ashall.

R4 – recycle Paulwater.Multiple units W2 F1 E C F P3 R4 E – evaporator. W2 – evaporated P3 – solid product. Ashall. 2008 of saturated solution from filter unit . C – crystalliser. F – filter unit F1 – fresh feed.

unit) • Solve equations for unknowns Paul Ashall. 2008 . total. quantities) • Select basis • Write mass balance equations (overall. concentrations. component.Mass balance procedures • • • • Process description Flowsheet Label Assign algebraic symbols to unknowns (compositions.

www.ie Paul Ashall.epa. Discuss and outline in general terms how you would do this. Ref. 2008 .Exercise A mass balance and tracking of usage of a solvent used in an API production process is required for a Pollution Emission Register (PER).

2008 .Definitions • • • • • • • Stoichiometric quantities Limiting reactant Excess reactant Conversion Yield Selectivity Extent of reaction Paul Ashall.

c.b. 2008 . aA + bB cC + dD i.d are stoichiometric quantities Paul Ashall.e. a.Stoichiometry • Refers to quantities of reactants and products in a balanced chemical reaction. a moles of A react with b moles of B to give c moles of C and d moles of D.

Reactor mass balances Paul Ashall. 2008 .

Example – aspirin synthesis reaction Paul Ashall. 2008 .

e. 2008 . In this case the other reactant is limiting i. it will limit the yield of product(s) Paul Ashall.Limiting reactant/excess reactant • In practice a reactant may be used in excess of the stoichiometric quantity for various reasons.

continued A reactant is in excess if it is present in a quantity greater than its stoichiometric proportion. 2008 . % excess = [(moles supplied – stoichiometric moles)/stoichiometric moles] x 100 Paul Ashall.

2008 .Example – aspirin synthesis Paul Ashall.

2008 .Conversion • Fractional conversion = amount reactant consumed/amount reactant supplied • % conversion = fractional conversion x 100 Note: conversion may apply to single pass reactor conversion or overall process conversion Paul Ashall.

x 100 Where s.f.f. is the stoichiometric factor = stoichiometric moles reactant required per mole product Paul Ashall. 2008 .Yield Yield = (moles product/moles limiting reactant supplied) x s.

2008 .Example – aspirin synthesis Paul Ashall.

2008 .Selectivity Selectivity = (moles product/moles reactant converted) x s. x100 OR Selectivity = moles desired product/moles byproduct Paul Ashall.f.

Extent Extent of reaction = (moles of component leaving reactor – moles of component entering reactor)/stoichiometric coefficient of component Note: the stoichiometric coefficient of a component in a chemical reaction is the no. 2008 . of moles in the balanced chemical equation ( -ve for reactants and +ve for products) Paul Ashall.

stoichiometric coefficients a = 1. unreacted A is separated and recycled and therefore overall process conversion is 100% R F reactor separation Paul Ashall. 90 % single pass conversion in reactor. 2008 P .e. b = 1 100 kmol fresh feed A.Examples A B i.

Discussion .Synthesis of 3.3 dimethylindoline Paul Ashall. 2008 .

2008 .Discussion .Aspirin synthesis Paul Ashall.

3rd edition. M. 2008 . W.References • Elementary Principles of Chemical Processes. John Wiley. 2000 Paul Ashall. Rousseau. R. Felder and R.

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