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Lecture Sl. No. 09

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Massive Open Online Course under NPTEL

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The Ministry of Human Resource Development (MHRD), Govt. of India

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Basic Principles and Calculations

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in Chemical Engineering

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Module-3: Fundamentals of Material

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Balance

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processes
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Prof. S. K. Majumder
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Chemical Engineering Department,

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Indian Institute of Technology Guwahati

Guwahati-781039, India. Phone: +913612582265 (O)
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Email: [email protected] ; [email protected]

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Welcome IIT Guwahati https://www.iitg.ac.in/chemeng/skm/home

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Previous Lecture Present Lecture

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 Material balances on non- Selectivity, yield, extent

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reactive processes:

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of reaction etc.

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 With recycle

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Material balances on
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 With bypass y co reactive processes
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 With Purge
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Some terminology

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 To consider chemical reactions, must know stoichiometry.

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 Theory of the proportions in which chemical species

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combine with one another in a reaction as represented

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by an equation
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 It Originates from two Greek words:

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"stoicheion": element
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"metron": measure
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Stoichiometry

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aA +bB cC +dD

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 Stoichiometry - provides a quantitative means of relating

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the amount of products produced by chemical

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reactions to the amount of reactants

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 Stoichiometric equations - statement of the relative

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number of molecules or moles of reactants and
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products (but not mass!) that participate in the reaction
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 Stoichiometric coefficients - numbers preceeding each

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species in the balanced reaction equation

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 Stoichiometric ratio - ratio of stoichiometric coefficients

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of any two species

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Limiting reagent/reactant

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 Limiting reagent - the reactant that would be first depleted if a reaction

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proceeded to completion

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 A reactant is limiting if it is present in less than its stoichiometric proportion relative to

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all other reactants

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 Identifying the limiting reactant :

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[this procedure is valid for any number of reactants]

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1. Select the reactant with the lowest stoichiometric coefficient .If there is more than
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one reactant with the same "lowest" coefficient, e.g.,
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A + B + 2C D
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select the one with the smallest number of moles fed.

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2. Set up stoichiometric ratios with the stoichiometric coefficient identified

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above as the denominator. In doing so, all your stoichiometric ratios should be > 1.
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3. Set up the corresponding ratios using actual feed values.

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Identifying the limiting reactant

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 Select the reactant with the lowest stoichiometric

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coefficient. If there is more than one reactant with the

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same "lowest" coefficient, e.g.,

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A + B + 2CD

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select the one with the smallest number of moles fed.
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 Set up stoichiometric ratios with the lowest stoichiometric

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coefficient identified above as the denominator. In

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doing so, all your stoichiometric ratios should be > 1.

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 Set up the corresponding ratios using actual feed values.

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Fractional excess:
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Compare each set of ratios:

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reactant x limiting
reactant x not limiting

where, i = excess reactant

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Example: C7H16 + 11O2  7CO2 + 8 H2O

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Given 1 gmol of C7H16 and 12 gmol of O2 . Identify the limiting

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reactant.

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O2 in excess;
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C7H16 limiting
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Other definitions:

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A + B C + D

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C + B E + D

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further reaction of desired product C; undesired reaction

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 If C is the desired product, then want to minimize

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second reaction from taking place.

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 Second reaction uses up reactant B and desired
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product C; it also produces undesired product E.
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 Let A be the limiting reactant

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The term yield and selectivity

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are used to describe the

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degree to which a desired

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reaction predominates over
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Overall
Overall and Single Pass conversion

Single pass
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Extent of Reaction

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Consider the reaction:

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AB

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Suppose an infinitesimal amount dξ of the reactant A that changes into B.

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 The change of the amount of A can be represented by the equation

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dnA = - dξ

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 The change of B is

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 The extent of reaction is then defined as

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𝑑𝑛
𝑑𝜉 =
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𝑣
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where ni denotes the amount of the i-th reactant and vi is the stoichiometric
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coefficient of the i-th reactant.

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Extent of Reaction

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 Other way it can be defined as

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 It is the amount of substance that is being changed in an equilibrium

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reaction.

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 Considering finite changes instead of infinitesimal changes, one can write

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the equation for the extent of a reaction as

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 The extent of a reaction is defined as zero at the beginning of the reaction.

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Thus the change of ξ is the extent itself.

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Extenyt of reaction for multiple

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reactions

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For multiple reactions

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Where, vij is the stoichiometric coefficient of substance i in the
reaction j y co
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The stoichiometric coefficient will be treated as negative for

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reactant, and positive for products

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Example

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 If the water-gas shift reaction,

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CO(g) + H2O(g) CO2(g) + H2(g)

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proceeds to equilibrium at a temperature T (K), the mole fractions of the four

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reactive species satisfy the relation

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where K(T ) is the reaction equilibrium constant. At T = 1105 K, K = 1.00.

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Suppose the feed to a reactor contains 1.00 mol of CO, 2.00 mol of H2O, and
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no CO2 or H2 and the reaction mixture comes to equilibrium at 1105 K.

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Calculate the equilibrium composition and the fractional conversion of the

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limiting reactant.
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= ξe
nCO2 = ξe
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As per equation

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nH2O = 2.00 mol – ξe

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nCO = 1.00 mol – ξe (number of gram-moles of CO present at equilibrium)
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The limiting reactant in this case is CO (verify).

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At equilibrium nCO (1.00 - 0.667) mol = 0.333 mol

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=

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The fractional conversion of CO at equilibrium is

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fco = (1.00-0.333) mol CO reacted/ (1.00 mol CO fed)
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= 0.667
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Example

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The reactions aas follows take place in a continuous reactor at steady

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state in a reactor.

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C2H6  C2H4 + H2

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C2H6 + H2  2CH4

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The feed contains 85.0 mole% ethane (C2H6) and 15% inerts (I). The
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fractional conversion of ethane is 0.501, and the fractional yield of

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ethylene is 0.471.
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Calculate the molar composition of the product gas and the selectivity
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of ethylene to methane production.

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Further reading......

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Text Books:

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 R. M. Felder, Ronald W. Rousseau, Lisa G. Bullard, Elementary

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Principles of Chemical Processes, 4th Ed., John Wiley & Sons,

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Asia, 2017.

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 D. M. Himmelblau, J. B. Riggs, Basic Principles and Calculations in

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Chemical Engineering, 7/8th Ed., Prentice Hall of India, 2012.
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Reference Books:
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 N. Chopey, Handbook of Chemical Engineering Calculations,

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4th Ed., Mc-Graw Hill, 2012.

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 Olaf, K.M. Watson and R. A. R. Hougen, Chemical Process

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Principles, Part 1: Material and Energy Balances, 2nd Ed., John

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Wiley & Sons, 2004.

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Thank You

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combustion reactions

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Material balance based on
Next Lecture:
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